CID 15044189

1,1-difluoro-2-methylcyclohexane

Structural Information

Molecular Formula

C₇H₁₂F₂

SMILES

CC1CCCCC1(F)F

InChI

InChI=1S/C7H12F2/c1-6-4-2-3-5-7(6,8)9/h6H,2-5H2,1H3

InChIKey

CDGCGIDIKQPXSQ-UHFFFAOYSA-N

Compound name

1,1-difluoro-2-methylcyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 134.09071 Da
Monoisotopic Mass: 3.1
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]+	135.09799	124.8
[M+Na]+	157.07993	131.9
[M-H]-	133.08343	125.7
[M+NH4]+	152.12453	148.7
[M+K]+	173.05387	130.8
[M+H-H2O]+	117.08797	118.9
[M+HCOO]-	179.08891	143.6
[M+CH3COO]-	193.10456	172.7
[M+Na-2H]-	155.06538	130.4
[M]+	134.09016	117.9
[M]-	134.09126	117.9

Literature stripe

literature stripe

Patent stripe

patents stripe