CID 6432413

(trifluoromethyl)cyclohexane

Structural Information

Molecular Formula

C₇H₁₁F₃

SMILES

C1CCC(CC1)C(F)(F)F

InChI

InChI=1S/C7H11F3/c8-7(9,10)6-4-2-1-3-5-6/h6H,1-5H2

InChIKey

QXPZOKVSFMRGMQ-UHFFFAOYSA-N

Compound name

trifluoromethylcyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 28
References: 5848
Patents: 152.08128 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

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]+	153.088556	128.9
[M+Na]+	175.070498	134.6
[M-H]-	151.074004	127.8
[M+NH4]+	170.115103	149.8
[M+K]+	191.044438	133.2
[M+H-H2O]+	135.078540	121.5
[M+HCOO]-	197.079481	145.0
[M+CH3COO]-	211.095131	174.5
[M+Na-2H]-	173.055946	133.9
[M]+	152.08073142	119.5
[M]-	152.08182858	119.5

Literature stripe

literature stripe

Patent stripe

patents stripe