CID 24212615

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

Structural Information

Molecular Formula
C12H10BrNOS
SMILES
CC1=CC=CC=C1NC(=O)C2=C(C=CS2)Br
InChI
InChI=1S/C12H10BrNOS/c1-8-4-2-3-5-10(8)14-12(15)11-9(13)6-7-16-11/h2-7H,1H3,(H,14,15)
InChIKey
MIQKVQXCORXKGB-UHFFFAOYSA-N
Compound name
3-bromo-N-(2-methylphenyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.96664 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.97392 152.4
[M+Na]+ 317.95586 164.7
[M-H]- 293.95936 162.5
[M+NH4]+ 313.00046 173.9
[M+K]+ 333.92980 152.3
[M+H-H2O]+ 277.96390 152.2
[M+HCOO]- 339.96484 171.3
[M+CH3COO]- 353.98049 197.6
[M+Na-2H]- 315.94131 155.7
[M]+ 294.96609 172.7
[M]- 294.96719 172.7
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.