CID 18627177

2-fluoro-2-[4-(trifluoromethyl)phenyl]acetonitrile

Structural Information

Molecular Formula
C9H5F4N
SMILES
C1=CC(=CC=C1C(C#N)F)C(F)(F)F
InChI
InChI=1S/C9H5F4N/c10-8(5-14)6-1-3-7(4-2-6)9(11,12)13/h1-4,8H
InChIKey
XQRGQOVRUPVKJS-UHFFFAOYSA-N
Compound name
2-fluoro-2-[4-(trifluoromethyl)phenyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

203.03581 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.04309 135.2
[M+Na]+ 226.02503 145.5
[M-H]- 202.02853 133.8
[M+NH4]+ 221.06963 152.3
[M+K]+ 241.99897 142.2
[M+H-H2O]+ 186.03307 120.4
[M+HCOO]- 248.03401 150.1
[M+CH3COO]- 262.04966 197.2
[M+Na-2H]- 224.01048 139.5
[M]+ 203.03526 124.9
[M]- 203.03636 124.9
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