CID 137949484

4-amino-5-methylthiophene-2-sulfonyl fluoride

Structural Information

Molecular Formula
C5H6FNO2S2
SMILES
CC1=C(C=C(S1)S(=O)(=O)F)N
InChI
InChI=1S/C5H6FNO2S2/c1-3-4(7)2-5(10-3)11(6,8)9/h2H,7H2,1H3
InChIKey
GKIXAGCISFLOHT-UHFFFAOYSA-N
Compound name
4-amino-5-methylthiophene-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.98239 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.989666 135.0
[M+Na]+ 217.971608 145.8
[M-H]- 193.975114 137.7
[M+NH4]+ 213.016213 156.6
[M+K]+ 233.945548 141.7
[M+H-H2O]+ 177.979650 129.5
[M+HCOO]- 239.980591 148.8
[M+CH3COO]- 253.996241 179.9
[M+Na-2H]- 215.957056 135.6
[M]+ 194.98184142 136.1
[M]- 194.98293858 136.1
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.