CID 102331

2792-22-5

Structural Information

Molecular Formula
C8H6ClN3
SMILES
C1=CC(=CC(=C1)Cl)NN=CC#N
InChI
InChI=1S/C8H6ClN3/c9-7-2-1-3-8(6-7)12-11-5-4-10/h1-3,5-6,12H
InChIKey
UANBJEOUSVXYKE-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)hydrazinylidene]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1281
Patents

179.02502 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.032296 139.0
[M+Na]+ 202.014238 149.6
[M-H]- 178.017744 143.3
[M+NH4]+ 197.058843 157.8
[M+K]+ 217.988178 145.1
[M+H-H2O]+ 162.022280 127.0
[M+HCOO]- 224.023221 159.1
[M+CH3COO]- 238.038871 197.1
[M+Na-2H]- 199.999686 146.4
[M]+ 179.02447142 135.2
[M]- 179.02556858 135.2
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