CID 1354

M-chlorophenylbiguanide

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

208
References

276
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 147.0
[M+Na]+ 234.05169 153.4
[M-H]- 210.05519 152.1
[M+NH4]+ 229.09629 165.5
[M+K]+ 250.02563 150.4
[M+H-H2O]+ 194.05973 140.4
[M+HCOO]- 256.06067 171.9
[M+CH3COO]- 270.07632 199.7
[M+Na-2H]- 232.03714 150.9
[M]+ 211.06192 143.2
[M]- 211.06302 143.2
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