CID 82380873

Lithium(1+) 5-bromo-1-methyl-1h-1,3-benzodiazole-2-carboxylate

Structural Information

Molecular Formula
C9H7BrN2O2
SMILES
CN1C2=C(C=C(C=C2)Br)N=C1C(=O)O
InChI
InChI=1S/C9H7BrN2O2/c1-12-7-3-2-5(10)4-6(7)11-8(12)9(13)14/h2-4H,1H3,(H,13,14)
InChIKey
ABSRIIBLACWYBC-UHFFFAOYSA-N
Compound name
5-bromo-1-methylbenzimidazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.96909 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.97637 147.9
[M+Na]+ 276.95831 151.8
[M+NH4]+ 272.00291 151.8
[M+K]+ 292.93225 153.9
[M-H]- 252.96181 146.8
[M+Na-2H]- 274.94376 149.9
[M]+ 253.96854 146.8
[M]- 253.96964 146.8
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.