CID 4085849

2-chloro-4,5-difluorobenzonitrile

Structural Information

Molecular Formula
C7H2ClF2N
SMILES
C1=C(C(=CC(=C1F)F)Cl)C#N
InChI
InChI=1S/C7H2ClF2N/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2H
InChIKey
AKZDICFDUJUQRX-UHFFFAOYSA-N
Compound name
2-chloro-4,5-difluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

172.98439 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.99167 124.4
[M+Na]+ 195.97361 138.1
[M-H]- 171.97711 126.1
[M+NH4]+ 191.01821 144.1
[M+K]+ 211.94755 133.1
[M+H-H2O]+ 155.98165 112.6
[M+HCOO]- 217.98259 140.1
[M+CH3COO]- 231.99824 191.7
[M+Na-2H]- 193.95906 130.1
[M]+ 172.98384 119.5
[M]- 172.98494 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