CID 10920708

2,2-difluoro-2-phenylacetonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

153.039 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04628 128.6
[M+Na]+ 176.02822 138.8
[M-H]- 152.03172 129.5
[M+NH4]+ 171.07282 147.4
[M+K]+ 192.00216 135.7
[M+H-H2O]+ 136.03626 115.4
[M+HCOO]- 198.03720 146.5
[M+CH3COO]- 212.05285 188.3
[M+Na-2H]- 174.01367 136.1
[M]+ 153.03845 120.5
[M]- 153.03955 120.5
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