CID 69559

654-01-3

Structural Information

Molecular Formula
C8H5F2N
SMILES
C1=CC(=C(C(=C1)F)CC#N)F
InChI
InChI=1S/C8H5F2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2
InChIKey
GVAYBGQTAADLJS-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

317
Patents

153.039 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04628 123.8
[M+Na]+ 176.02822 135.4
[M-H]- 152.03172 125.2
[M+NH4]+ 171.07282 143.2
[M+K]+ 192.00216 132.0
[M+H-H2O]+ 136.03626 110.7
[M+HCOO]- 198.03720 143.3
[M+CH3COO]- 212.05285 190.0
[M+Na-2H]- 174.01367 130.0
[M]+ 153.03845 117.0
[M]- 153.03955 117.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe