CID 356349

5-chloro-1h-benzo[d]imidazole-1,2-diamine

Structural Information

Molecular Formula
C7H7ClN4
SMILES
C1=CC2=C(C=C1Cl)N=C(N2N)N
InChI
InChI=1S/C7H7ClN4/c8-4-1-2-6-5(3-4)11-7(9)12(6)10/h1-3H,10H2,(H2,9,11)
InChIKey
BWPDDCOWXFNALZ-UHFFFAOYSA-N
Compound name
5-chlorobenzimidazole-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

32
Patents

182.03592 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.043196 134.3
[M+Na]+ 205.025138 146.9
[M-H]- 181.028644 136.5
[M+NH4]+ 200.069743 155.0
[M+K]+ 220.999078 141.7
[M+H-H2O]+ 165.033180 128.0
[M+HCOO]- 227.034121 155.1
[M+CH3COO]- 241.049771 148.5
[M+Na-2H]- 203.010586 141.2
[M]+ 182.03537142 135.2
[M]- 182.03646858 135.2
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