CID 10263087

20367-38-8

Structural Information

Molecular Formula
C9H8ClN3O2
SMILES
COC(=O)NC1=NC2=C(N1)C=C(C=C2)Cl
InChI
InChI=1S/C9H8ClN3O2/c1-15-9(14)13-8-11-6-3-2-5(10)4-7(6)12-8/h2-4H,1H3,(H2,11,12,13,14)
InChIKey
VLEJNRYXCWJNPA-UHFFFAOYSA-N
Compound name
methyl N-(6-chloro-1H-benzimidazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

225.0305 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.03778 144.1
[M+Na]+ 248.01972 155.2
[M-H]- 224.02322 145.6
[M+NH4]+ 243.06432 162.8
[M+K]+ 263.99366 150.5
[M+H-H2O]+ 208.02776 137.7
[M+HCOO]- 270.02870 162.7
[M+CH3COO]- 284.04435 185.0
[M+Na-2H]- 246.00517 150.8
[M]+ 225.02995 147.6
[M]- 225.03105 147.6
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