CID 67940983

4-chloro-2,3-difluorobenzonitrile

Structural Information

Molecular Formula
C7H2ClF2N
SMILES
C1=CC(=C(C(=C1C#N)F)F)Cl
InChI
InChI=1S/C7H2ClF2N/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2H
InChIKey
RMXBPYPAXHFJKB-UHFFFAOYSA-N
Compound name
4-chloro-2,3-difluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

172.98439 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.991666 124.4
[M+Na]+ 195.973608 138.1
[M-H]- 171.977114 126.1
[M+NH4]+ 191.018213 144.1
[M+K]+ 211.947548 133.1
[M+H-H2O]+ 155.981650 112.6
[M+HCOO]- 217.982591 140.1
[M+CH3COO]- 231.998241 191.7
[M+Na-2H]- 193.959056 130.1
[M]+ 172.98384142 119.5
[M]- 172.98493858 119.5
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