CID 24212615

853314-58-6

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]+ 295.973916 152.4
[M+Na]+ 317.955858 164.7
[M-H]- 293.959364 162.5
[M+NH4]+ 313.000463 173.9
[M+K]+ 333.929798 152.3
[M+H-H2O]+ 277.963900 152.2
[M+HCOO]- 339.964841 171.3
[M+CH3COO]- 353.980491 197.6
[M+Na-2H]- 315.941306 155.7
[M]+ 294.96609142 172.7
[M]- 294.96718858 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.