CID 61064237

(5-bromothiophen-2-yl)methanesulfonamide

Structural Information

Molecular Formula
C5H6BrNO2S2
SMILES
C1=C(SC(=C1)Br)CS(=O)(=O)N
InChI
InChI=1S/C5H6BrNO2S2/c6-5-2-1-4(10-5)3-11(7,8)9/h1-2H,3H2,(H2,7,8,9)
InChIKey
BMXZGTRENOAWRP-UHFFFAOYSA-N
Compound name
(5-bromothiophen-2-yl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.90233 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.90961 132.5
[M+Na]+ 277.89155 146.5
[M-H]- 253.89505 139.0
[M+NH4]+ 272.93615 155.3
[M+K]+ 293.86549 133.5
[M+H-H2O]+ 237.89959 133.3
[M+HCOO]- 299.90053 145.9
[M+CH3COO]- 313.91618 186.4
[M+Na-2H]- 275.87700 136.9
[M]+ 254.90178 152.5
[M]- 254.90288 152.5
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.