CID 21114161

1415564-99-6

Structural Information

Molecular Formula
C15H10BrF2N3O2
SMILES
CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)F)C(=O)O
InChI
InChI=1S/C15H10BrF2N3O2/c1-21-6-19-14-11(21)5-8(15(22)23)13(12(14)18)20-10-3-2-7(16)4-9(10)17/h2-6,20H,1H3,(H,22,23)
InChIKey
YBTSZTNYTYAQKE-UHFFFAOYSA-N
Compound name
6-(4-bromo-2-fluoroanilino)-7-fluoro-3-methylbenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

311
Patents

380.99246 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.99974 183.8
[M+Na]+ 403.98168 187.0
[M+NH4]+ 399.02628 185.8
[M+K]+ 419.95562 187.9
[M-H]- 379.98518 182.5
[M+Na-2H]- 401.96713 185.0
[M]+ 380.99191 182.5
[M]- 380.99301 182.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe