CID 57531797

29096-76-2

Structural Information

Molecular Formula
C8H7Cl2N3
SMILES
C1=C2C(=CC(=C1Cl)Cl)N=C(N2)CN
InChI
InChI=1S/C8H7Cl2N3/c9-4-1-6-7(2-5(4)10)13-8(3-11)12-6/h1-2H,3,11H2,(H,12,13)
InChIKey
ROLMMAUMZSFHNM-UHFFFAOYSA-N
Compound name
(5,6-dichloro-1H-benzimidazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

215.00171 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.008986 141.5
[M+Na]+ 237.990928 154.3
[M-H]- 213.994434 141.8
[M+NH4]+ 233.035533 161.1
[M+K]+ 253.964868 147.2
[M+H-H2O]+ 197.998970 136.0
[M+HCOO]- 259.999911 154.8
[M+CH3COO]- 274.015561 154.5
[M+Na-2H]- 235.976376 147.1
[M]+ 215.00116142 143.5
[M]- 215.00225858 143.5
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