CID 24212616

3-bromo-n-(3-(trifluoromethyl)phenyl)-2-thiophenecarboxamide

Structural Information

Molecular Formula
C12H7BrF3NOS
SMILES
C1=CC(=CC(=C1)NC(=O)C2=C(C=CS2)Br)C(F)(F)F
InChI
InChI=1S/C12H7BrF3NOS/c13-9-4-5-19-10(9)11(18)17-8-3-1-2-7(6-8)12(14,15)16/h1-6H,(H,17,18)
InChIKey
BGYKBOLQVMFPCN-UHFFFAOYSA-N
Compound name
3-bromo-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.9384 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.94568 164.2
[M+Na]+ 371.92762 176.8
[M-H]- 347.93112 170.4
[M+NH4]+ 366.97222 183.4
[M+K]+ 387.90156 163.4
[M+H-H2O]+ 331.93566 161.6
[M+HCOO]- 393.93660 178.6
[M+CH3COO]- 407.95225 204.8
[M+Na-2H]- 369.91307 166.2
[M]+ 348.93785 180.7
[M]- 348.93895 180.7
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.