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]+ 284.986916 149.0
[M+Na]+ 306.968858 165.0
[M-H]- 282.972364 154.3
[M+NH4]+ 302.013463 169.1
[M+K]+ 322.942798 153.5
[M+H-H2O]+ 266.976900 149.1
[M+HCOO]- 328.977841 168.8
[M+CH3COO]- 342.993491 195.3
[M+Na-2H]- 304.954306 154.3
[M]+ 283.97909142 171.9
[M]- 283.98018858 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.