CID 2774156

2,3-difluoro-4-methylphenylacetonitrile

Structural Information

Molecular Formula
C9H7F2N
SMILES
CC1=C(C(=C(C=C1)CC#N)F)F
InChI
InChI=1S/C9H7F2N/c1-6-2-3-7(4-5-12)9(11)8(6)10/h2-3H,4H2,1H3
InChIKey
PSKCXHODUFMOLE-UHFFFAOYSA-N
Compound name
2-(2,3-difluoro-4-methylphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.05466 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.061936 127.3
[M+Na]+ 190.043878 139.3
[M-H]- 166.047384 129.0
[M+NH4]+ 185.088483 146.5
[M+K]+ 206.017818 135.9
[M+H-H2O]+ 150.051920 114.4
[M+HCOO]- 212.052861 146.5
[M+CH3COO]- 226.068511 193.7
[M+Na-2H]- 188.029326 132.4
[M]+ 167.05411142 121.2
[M]- 167.05520858 121.2
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

No patent data available for this compound.