CID 70351

Carbonylcyanide 4-chlorophenylhydrazone

Structural Information

Molecular Formula
C9H5ClN4
SMILES
C1=CC(=CC=C1NN=C(C#N)C#N)Cl
InChI
InChI=1S/C9H5ClN4/c10-7-1-3-8(4-2-7)13-14-9(5-11)6-12/h1-4,13H
InChIKey
LLQAOIITXFNWED-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2281
References

18
Patents

204.02028 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.027556 158.9
[M+Na]+ 227.009498 168.6
[M-H]- 203.013004 162.7
[M+NH4]+ 222.054103 171.7
[M+K]+ 242.983438 164.4
[M+H-H2O]+ 187.017540 143.9
[M+HCOO]- 249.018481 170.6
[M+CH3COO]- 263.034131 220.1
[M+Na-2H]- 224.994946 161.3
[M]+ 204.01973142 151.2
[M]- 204.02082858 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