CID 84689395

1780871-34-2

Structural Information

Molecular Formula
C10H9ClN2O2
SMILES
CN1C2=C(C=C(C=C2)C(=O)OC)N=C1Cl
InChI
InChI=1S/C10H9ClN2O2/c1-13-8-4-3-6(9(14)15-2)5-7(8)12-10(13)11/h3-5H,1-2H3
InChIKey
GRBCZHNRZDDLOT-UHFFFAOYSA-N
Compound name
methyl 2-chloro-1-methylbenzimidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

224.03525 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04253 143.9
[M+Na]+ 247.02447 156.8
[M-H]- 223.02797 147.0
[M+NH4]+ 242.06907 164.0
[M+K]+ 262.99841 152.7
[M+H-H2O]+ 207.03251 137.7
[M+HCOO]- 269.03345 162.6
[M+CH3COO]- 283.04910 187.4
[M+Na-2H]- 245.00992 149.3
[M]+ 224.03470 150.7
[M]- 224.03580 150.7
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