CID 445713

Farnesyl diphosphate

Structural Information

Molecular Formula
C15H28O7P2
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

compound 2d structure
5
Annotation Hits

1447
References

14225
Patents

382.131 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.13828 184.9
[M+Na]+ 405.12022 189.4
[M+NH4]+ 400.16482 190.7
[M+K]+ 421.09416 184.9
[M-H]- 381.12372 182.5
[M+Na-2H]- 403.10567 192.7
[M]+ 382.13045 184.8
[M]- 382.13155 184.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe