CID 17148841

5-bromo-n-ethylthiophene-2-carboxamide

Structural Information

Molecular Formula
C7H8BrNOS
SMILES
CCNC(=O)C1=CC=C(S1)Br
InChI
InChI=1S/C7H8BrNOS/c1-2-9-7(10)5-3-4-6(8)11-5/h3-4H,2H2,1H3,(H,9,10)
InChIKey
MCZJXRSQHCIODB-UHFFFAOYSA-N
Compound name
5-bromo-N-ethylthiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

232.951 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.95828 137.0
[M+Na]+ 255.94022 149.3
[M-H]- 231.94372 144.0
[M+NH4]+ 250.98482 160.8
[M+K]+ 271.91416 137.9
[M+H-H2O]+ 215.94826 137.1
[M+HCOO]- 277.94920 155.8
[M+CH3COO]- 291.96485 186.7
[M+Na-2H]- 253.92567 140.9
[M]+ 232.95045 157.2
[M]- 232.95155 157.2
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

patents stripe