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

15
Patents

224.03525 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.042526 143.9
[M+Na]+ 247.024468 156.8
[M-H]- 223.027974 147.0
[M+NH4]+ 242.069073 164.0
[M+K]+ 262.998408 152.7
[M+H-H2O]+ 207.032510 137.7
[M+HCOO]- 269.033451 162.6
[M+CH3COO]- 283.049101 187.4
[M+Na-2H]- 245.009916 149.3
[M]+ 224.03470142 150.7
[M]- 224.03579858 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