CID 24212610

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

Structural Information

Molecular Formula
C11H7BrClNOS
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)C2=C(C=CS2)Br
InChI
InChI=1S/C11H7BrClNOS/c12-9-4-5-16-10(9)11(15)14-8-3-1-2-7(13)6-8/h1-6H,(H,14,15)
InChIKey
LHMLTVSNFMLZDI-UHFFFAOYSA-N
Compound name
3-bromo-N-(3-chlorophenyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.91202 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.91930 153.9
[M+Na]+ 337.90124 167.6
[M-H]- 313.90474 164.2
[M+NH4]+ 332.94584 175.6
[M+K]+ 353.87518 153.6
[M+H-H2O]+ 297.90928 154.7
[M+HCOO]- 359.91022 168.9
[M+CH3COO]- 373.92587 169.3
[M+Na-2H]- 335.88669 157.4
[M]+ 314.91147 175.8
[M]- 314.91257 175.8
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.