CID 408159

5-chloro-2-guanidinobenzimidazole

Structural Information

Molecular Formula
C8H8ClN5
SMILES
C1=CC2=C(C=C1Cl)NC(=N2)N=C(N)N
InChI
InChI=1S/C8H8ClN5/c9-4-1-2-5-6(3-4)13-8(12-5)14-7(10)11/h1-3H,(H5,10,11,12,13,14)
InChIKey
IFYPQHGXCVZZMW-UHFFFAOYSA-N
Compound name
2-(6-chloro-1H-benzimidazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

79
Patents

209.04683 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.054106 141.6
[M+Na]+ 232.036048 151.9
[M-H]- 208.039554 143.5
[M+NH4]+ 227.080653 160.4
[M+K]+ 248.009988 146.5
[M+H-H2O]+ 192.044090 134.7
[M+HCOO]- 254.045031 162.4
[M+CH3COO]- 268.060681 154.4
[M+Na-2H]- 230.021496 148.1
[M]+ 209.04628142 140.5
[M]- 209.04737858 140.5
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