CID 66859332

2-(4,4-difluorocyclohexyl)acetonitrile

Structural Information

Molecular Formula
C8H11F2N
SMILES
C1CC(CCC1CC#N)(F)F
InChI
InChI=1S/C8H11F2N/c9-8(10)4-1-7(2-5-8)3-6-11/h7H,1-5H2
InChIKey
YCPSRZKMHXVJDI-UHFFFAOYSA-N
Compound name
2-(4,4-difluorocyclohexyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

159.08595 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09323 126.8
[M+Na]+ 182.07517 136.0
[M-H]- 158.07867 127.8
[M+NH4]+ 177.11977 147.5
[M+K]+ 198.04911 132.6
[M+H-H2O]+ 142.08321 114.5
[M+HCOO]- 204.08415 142.6
[M+CH3COO]- 218.09980 189.6
[M+Na-2H]- 180.06062 132.2
[M]+ 159.08540 116.2
[M]- 159.08650 116.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe