CID 587204

3,5-difluorobenzonitrile

Structural Information

Molecular Formula
C7H3F2N
SMILES
C1=C(C=C(C=C1F)F)C#N
InChI
InChI=1S/C7H3F2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
InChIKey
CQXZSEXZQVKCHW-UHFFFAOYSA-N
Compound name
3,5-difluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1131
Patents

139.02336 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.03064 128.4
[M+Na]+ 162.01258 140.9
[M+NH4]+ 157.05718 133.2
[M+K]+ 177.98652 130.8
[M-H]- 138.01608 121.1
[M+Na-2H]- 159.99803 132.6
[M]+ 139.02281 127.3
[M]- 139.02391 127.3
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