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]+ 168.032296 136.4
[M+Na]+ 190.014238 147.5
[M-H]- 166.017744 139.6
[M+NH4]+ 185.058843 155.2
[M+K]+ 205.988178 143.0
[M+H-H2O]+ 150.022280 125.3
[M+HCOO]- 212.023221 154.8
[M+CH3COO]- 226.038871 193.9
[M+Na-2H]- 187.999686 142.3
[M]+ 167.02447142 130.7
[M]- 167.02556858 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