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]+ 233.958276 137.0
[M+Na]+ 255.940218 149.3
[M-H]- 231.943724 144.0
[M+NH4]+ 250.984823 160.8
[M+K]+ 271.914158 137.9
[M+H-H2O]+ 215.948260 137.1
[M+HCOO]- 277.949201 155.8
[M+CH3COO]- 291.964851 186.7
[M+Na-2H]- 253.925666 140.9
[M]+ 232.95045142 157.2
[M]- 232.95154858 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