PubChemLite - 3-heptafluorobutyryl-(+)-camphor (C14H15F7O2)

Structural Information

Molecular Formula

SMILES

C[C@@]12CC[C@@H](C1(C)C)C(C2=O)C(=O)C(C(C(F)(F)F)(F)F)(F)F

InChI

InChI=1S/C14H15F7O2/c1-10(2)6-4-5-11(10,3)8(22)7(6)9(23)12(15,16)13(17,18)14(19,20)21/h6-7H,4-5H2,1-3H3/t6-,7?,11+/m1/s1

InChIKey

PEWOESYEGLBLNR-XGLFCGLISA-N

Compound name

(1R,4R)-3-(2,2,3,3,4,4,4-heptafluorobutanoyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

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]+	349.10332	171.3
[M+Na]+	371.08526	181.5
[M-H]-	347.08876	166.1
[M+NH4]+	366.12986	193.6
[M+K]+	387.05920	177.6
[M+H-H2O]+	331.09330	165.5
[M+HCOO]-	393.09424	178.5
[M+CH3COO]-	407.10989	212.2
[M+Na-2H]-	369.07071	173.1
[M]+	348.09549	163.2
[M]-	348.09659	163.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

349.10332

171.3

[M+Na]+

371.08526

181.5

[M-H]-

347.08876

166.1

[M+NH4]+

366.12986

193.6

[M+K]+

387.05920

177.6

[M+H-H2O]+

331.09330

165.5

[M+HCOO]-

393.09424

178.5

[M+CH3COO]-

407.10989

212.2

[M+Na-2H]-

369.07071

173.1

[M]+

348.09549

163.2

[M]-

348.09659

163.2

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

3-heptafluorobutyryl-(+)-camphor

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe