Farnesyl diphosphate (C15H28O7P2)

Structural Information

Molecular Formula

SMILES

CC(=CCC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)C

InChI

InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+

InChIKey

VWFJDQUYCIWHTN-YFVJMOTDSA-N

Compound name

phosphono [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	383.138276	184.3
[M+Na]+	405.120218	188.7
[M-H]-	381.123724	184.0
[M+NH4]+	400.164823	188.4
[M+K]+	421.094158	181.8
[M+H-H2O]+	365.128260	167.9
[M+HCOO]-	427.129201	195.7
[M+CH3COO]-	441.144851	211.5
[M+Na-2H]-	403.105666	172.0
[M]+	382.13045142	180.7
[M]-	382.13154858	180.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

383.138276

184.3

[M+Na]+

405.120218

188.7

[M-H]-

381.123724

184.0

[M+NH4]+

400.164823

188.4

[M+K]+

421.094158

181.8

[M+H-H2O]+

365.128260

167.9

[M+HCOO]-

427.129201

195.7

[M+CH3COO]-

441.144851

211.5

[M+Na-2H]-

403.105666

172.0

[M]+

382.13045142

180.7

[M]-

382.13154858

180.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Farnesyl diphosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe