CID 355712

Nsc609818

Structural Information

Molecular Formula
C8H8ClN3
SMILES
CC1=NC2=C(N1)C=C(C(=C2)N)Cl
InChI
InChI=1S/C8H8ClN3/c1-4-11-7-2-5(9)6(10)3-8(7)12-4/h2-3H,10H2,1H3,(H,11,12)
InChIKey
FXXPQDILKKBPOZ-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-1H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.04068 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04796 135.0
[M+Na]+ 204.02990 147.7
[M-H]- 180.03340 136.2
[M+NH4]+ 199.07450 155.7
[M+K]+ 220.00384 141.7
[M+H-H2O]+ 164.03794 129.3
[M+HCOO]- 226.03888 153.6
[M+CH3COO]- 240.05453 149.0
[M+Na-2H]- 202.01535 141.5
[M]+ 181.04013 136.1
[M]- 181.04123 136.1
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

No patent data available for this compound.