CID 19098976

Thiophene-2-sulfonyl fluoride

Structural Information

Molecular Formula
C4H3FO2S2
SMILES
C1=CSC(=C1)S(=O)(=O)F
InChI
InChI=1S/C4H3FO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H
InChIKey
NYJIUCJXMLNPHU-UHFFFAOYSA-N
Compound name
thiophene-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

165.95586 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.96314 128.2
[M+Na]+ 188.94508 139.1
[M-H]- 164.94858 131.4
[M+NH4]+ 183.98968 151.3
[M+K]+ 204.91902 136.1
[M+H-H2O]+ 148.95312 123.1
[M+HCOO]- 210.95406 142.4
[M+CH3COO]- 224.96971 170.8
[M+Na-2H]- 186.93053 130.7
[M]+ 165.95531 130.1
[M]- 165.95641 130.1
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

patents stripe