CID 743465

N-(3-bromophenyl)thiophene-2-carboxamide

Structural Information

Molecular Formula
C11H8BrNOS
SMILES
C1=CC(=CC(=C1)Br)NC(=O)C2=CC=CS2
InChI
InChI=1S/C11H8BrNOS/c12-8-3-1-4-9(7-8)13-11(14)10-5-2-6-15-10/h1-7H,(H,13,14)
InChIKey
OMPQRGPVKMSUBO-UHFFFAOYSA-N
Compound name
N-(3-bromophenyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

280.951 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.95828 148.3
[M+Na]+ 303.94022 160.2
[M-H]- 279.94372 158.2
[M+NH4]+ 298.98482 170.0
[M+K]+ 319.91416 148.1
[M+H-H2O]+ 263.94826 148.2
[M+HCOO]- 325.94920 167.6
[M+CH3COO]- 339.96485 193.7
[M+Na-2H]- 301.92567 152.7
[M]+ 280.95045 167.9
[M]- 280.95155 167.9
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.