CID 64754445

1342657-69-5

Structural Information

Molecular Formula

C₈H₁₀F₃N

SMILES

C1CC(CCC1C#N)C(F)(F)F

InChI

InChI=1S/C8H10F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h6-7H,1-4H2

InChIKey

RQPXHDMPBNDCIC-UHFFFAOYSA-N

Compound name

4-(trifluoromethyl)cyclohexane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 177.07654 Da
Monoisotopic Mass: 2.5
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]+	178.08382	131.1
[M+Na]+	200.06576	139.5
[M-H]-	176.06926	130.5
[M+NH4]+	195.11036	149.2
[M+K]+	216.03970	136.7
[M+H-H2O]+	160.07380	117.6
[M+HCOO]-	222.07474	144.4
[M+CH3COO]-	236.09039	192.2
[M+Na-2H]-	198.05121	135.2
[M]+	177.07599	118.4
[M]-	177.07709	118.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe