CID 20868

4-chlorobenzylbiguanide hydrochloride

Structural Information

Molecular Formula
C9H12ClN5
SMILES
C1=CC(=CC=C1CN=C(N)N=C(N)N)Cl
InChI
InChI=1S/C9H12ClN5/c10-7-3-1-6(2-4-7)5-14-9(13)15-8(11)12/h1-4H,5H2,(H6,11,12,13,14,15)
InChIKey
DXENBVSHQHBTBD-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

199
Patents

225.07812 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08540 149.8
[M+Na]+ 248.06734 158.0
[M+NH4]+ 243.11194 157.0
[M+K]+ 264.04128 152.8
[M-H]- 224.07084 153.8
[M+Na-2H]- 246.05279 155.3
[M]+ 225.07757 151.8
[M]- 225.07867 151.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe