CID 19933

4-chlorophenylbiguanide

Structural Information

Molecular Formula
C8H10ClN5
SMILES
C1=CC(=CC=C1N=C(N)N=C(N)N)Cl
InChI
InChI=1S/C8H10ClN5/c9-5-1-3-6(4-2-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
InChIKey
HTYFFCPFVMJTKM-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

32
References

1611
Patents

211.06247 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.06975 145.3
[M+Na]+ 234.05169 153.8
[M+NH4]+ 229.09629 152.7
[M+K]+ 250.02563 148.8
[M-H]- 210.05519 149.4
[M+Na-2H]- 232.03714 151.1
[M]+ 211.06192 147.4
[M]- 211.06302 147.4
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