CID 16427159

1,3-thiazole-2-sulfonyl fluoride

Structural Information

Molecular Formula
C3H2FNO2S2
SMILES
C1=CSC(=N1)S(=O)(=O)F
InChI
InChI=1S/C3H2FNO2S2/c4-9(6,7)3-5-1-2-8-3/h1-2H
InChIKey
ZTEVDEORQHXCNV-UHFFFAOYSA-N
Compound name
1,3-thiazole-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

166.9511 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.958376 127.3
[M+Na]+ 189.940318 138.7
[M-H]- 165.943824 129.3
[M+NH4]+ 184.984923 149.1
[M+K]+ 205.914258 135.9
[M+H-H2O]+ 149.948360 121.7
[M+HCOO]- 211.949301 140.7
[M+CH3COO]- 225.964951 170.4
[M+Na-2H]- 187.925766 130.0
[M]+ 166.95055142 129.3
[M]- 166.95164858 129.3
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