CID 108744

32389-86-9

Structural Information

Molecular Formula
C9H5ClN4
SMILES
C1=CC=C(C(=C1)NN=C(C#N)C#N)Cl
InChI
InChI=1S/C9H5ClN4/c10-8-3-1-2-4-9(8)14-13-7(5-11)6-12/h1-4,14H
InChIKey
WJLRKYSNJJCEPP-UHFFFAOYSA-N
Compound name
2-[(2-chlorophenyl)hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

204.02028 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.02756 158.9
[M+Na]+ 227.00950 168.6
[M-H]- 203.01300 162.7
[M+NH4]+ 222.05410 171.7
[M+K]+ 242.98344 164.4
[M+H-H2O]+ 187.01754 143.9
[M+HCOO]- 249.01848 170.6
[M+CH3COO]- 263.03413 220.1
[M+Na-2H]- 224.99495 161.3
[M]+ 204.01973 151.2
[M]- 204.02083 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe