CID 17820774

2-chloro-4-hydrazinylbenzonitrile

Structural Information

Molecular Formula
C7H6ClN3
SMILES
C1=CC(=C(C=C1NN)Cl)C#N
InChI
InChI=1S/C7H6ClN3/c8-7-3-6(11-10)2-1-5(7)4-9/h1-3,11H,10H2
InChIKey
NRWOMMXRCHVLFK-UHFFFAOYSA-N
Compound name
2-chloro-4-hydrazinylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

167.02502 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.03230 136.4
[M+Na]+ 190.01424 147.5
[M-H]- 166.01774 139.6
[M+NH4]+ 185.05884 155.2
[M+K]+ 205.98818 143.0
[M+H-H2O]+ 150.02228 125.3
[M+HCOO]- 212.02322 154.8
[M+CH3COO]- 226.03887 193.9
[M+Na-2H]- 187.99969 142.3
[M]+ 167.02447 130.7
[M]- 167.02557 130.7
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