CID 15140

1482-62-8

Structural Information

Molecular Formula
C8H7ClN4
SMILES
C1=CC(=CC=C1N=C(N)NC#N)Cl
InChI
InChI=1S/C8H7ClN4/c9-6-1-3-7(4-2-6)13-8(11)12-5-10/h1-4H,(H3,11,12,13)
InChIKey
JMEJOUCPQDFPFK-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1-cyanoguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

144
Patents

194.03592 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04320 144.7
[M+Na]+ 217.02514 155.2
[M+NH4]+ 212.06974 149.5
[M+K]+ 232.99908 145.8
[M-H]- 193.02864 140.9
[M+Na-2H]- 215.01059 148.8
[M]+ 194.03537 144.3
[M]- 194.03647 144.3
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