CID 24212608

3-bromo-n-(2-bromophenyl)-2-thiophenecarboxamide

Structural Information

Molecular Formula
C11H7Br2NOS
SMILES
C1=CC=C(C(=C1)NC(=O)C2=C(C=CS2)Br)Br
InChI
InChI=1S/C11H7Br2NOS/c12-7-3-1-2-4-9(7)14-11(15)10-8(13)5-6-16-10/h1-6H,(H,14,15)
InChIKey
HSMYWMSRHQVEMZ-UHFFFAOYSA-N
Compound name
3-bromo-N-(2-bromophenyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.8615 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.86878 147.1
[M+Na]+ 381.85072 158.8
[M-H]- 357.85422 157.0
[M+NH4]+ 376.89532 166.3
[M+K]+ 397.82466 142.6
[M+H-H2O]+ 341.85876 155.0
[M+HCOO]- 403.85970 161.6
[M+CH3COO]- 417.87535 210.2
[M+Na-2H]- 379.83617 151.6
[M]+ 358.86095 182.2
[M]- 358.86205 182.2
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.