CID 1008832

N-(2-benzoylphenyl)-5-bromo-2-thiophenecarboxamide

Structural Information

Molecular Formula
C18H12BrNO2S
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=C(S3)Br
InChI
InChI=1S/C18H12BrNO2S/c19-16-11-10-15(23-16)18(22)20-14-9-5-4-8-13(14)17(21)12-6-2-1-3-7-12/h1-11H,(H,20,22)
InChIKey
FCSCANHTNNHZOH-UHFFFAOYSA-N
Compound name
N-(2-benzoylphenyl)-5-bromothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.9772 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.98448 176.5
[M+Na]+ 407.96642 186.9
[M-H]- 383.96992 189.0
[M+NH4]+ 403.01102 193.7
[M+K]+ 423.94036 174.1
[M+H-H2O]+ 367.97446 175.4
[M+HCOO]- 429.97540 194.4
[M+CH3COO]- 443.99105 189.8
[M+Na-2H]- 405.95187 178.2
[M]+ 384.97665 196.5
[M]- 384.97775 196.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.