CID 49757484

Methyl 2-(chloromethyl)-1-methyl-1h-1,3-benzodiazole-5-carboxylate

Structural Information

Molecular Formula
C11H11ClN2O2
SMILES
CN1C2=C(C=C(C=C2)C(=O)OC)N=C1CCl
InChI
InChI=1S/C11H11ClN2O2/c1-14-9-4-3-7(11(15)16-2)5-8(9)13-10(14)6-12/h3-5H,6H2,1-2H3
InChIKey
UTYAGFZYJGYUKT-UHFFFAOYSA-N
Compound name
methyl 2-(chloromethyl)-1-methylbenzimidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0509 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05818 148.7
[M+Na]+ 261.04012 161.1
[M-H]- 237.04362 151.6
[M+NH4]+ 256.08472 168.2
[M+K]+ 277.01406 156.8
[M+H-H2O]+ 221.04816 142.3
[M+HCOO]- 283.04910 167.0
[M+CH3COO]- 297.06475 190.4
[M+Na-2H]- 259.02557 153.6
[M]+ 238.05035 155.8
[M]- 238.05145 155.8
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.