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]+ 195.98967 135.0
[M+Na]+ 217.97161 145.8
[M-H]- 193.97511 137.7
[M+NH4]+ 213.01621 156.6
[M+K]+ 233.94555 141.7
[M+H-H2O]+ 177.97965 129.5
[M+HCOO]- 239.98059 148.8
[M+CH3COO]- 253.99624 179.9
[M+Na-2H]- 215.95706 135.6
[M]+ 194.98184 136.1
[M]- 194.98294 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.