CID 53621872

6-bromo-1,3-dimethyl-2-oxo-2,3-dihydro-1h-1,3-benzodiazole-5-carboxylic acid

Structural Information

Molecular Formula
C10H9BrN2O3
SMILES
CN1C2=C(C=C(C(=C2)C(=O)O)Br)N(C1=O)C
InChI
InChI=1S/C10H9BrN2O3/c1-12-7-3-5(9(14)15)6(11)4-8(7)13(2)10(12)16/h3-4H,1-2H3,(H,14,15)
InChIKey
YNAQNTHJEWGXBM-UHFFFAOYSA-N
Compound name
6-bromo-1,3-dimethyl-2-oxobenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.97964 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.98692 149.0
[M+Na]+ 306.96886 165.0
[M-H]- 282.97236 154.3
[M+NH4]+ 302.01346 169.1
[M+K]+ 322.94280 153.5
[M+H-H2O]+ 266.97690 149.1
[M+HCOO]- 328.97784 168.8
[M+CH3COO]- 342.99349 195.3
[M+Na-2H]- 304.95431 154.3
[M]+ 283.97909 171.9
[M]- 283.98019 171.9
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.