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]+ 168.06194 127.3
[M+Na]+ 190.04388 139.3
[M-H]- 166.04738 129.0
[M+NH4]+ 185.08848 146.5
[M+K]+ 206.01782 135.9
[M+H-H2O]+ 150.05192 114.4
[M+HCOO]- 212.05286 146.5
[M+CH3COO]- 226.06851 193.7
[M+Na-2H]- 188.02933 132.4
[M]+ 167.05411 121.2
[M]- 167.05521 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.