CID 345337

2-amino-1,3-thiazole-5-sulfonyl fluoride

Structural Information

Molecular Formula
C3H3FN2O2S2
SMILES
C1=C(SC(=N1)N)S(=O)(=O)F
InChI
InChI=1S/C3H3FN2O2S2/c4-10(7,8)2-1-6-3(5)9-2/h1H,(H2,5,6)
InChIKey
MWYTVFPWNMCQNQ-UHFFFAOYSA-N
Compound name
2-amino-1,3-thiazole-5-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.96199 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.96927 130.6
[M+Na]+ 204.95121 141.6
[M-H]- 180.95471 131.9
[M+NH4]+ 199.99581 151.2
[M+K]+ 220.92515 137.9
[M+H-H2O]+ 164.95925 124.5
[M+HCOO]- 226.96019 143.9
[M+CH3COO]- 240.97584 175.5
[M+Na-2H]- 202.93666 132.5
[M]+ 181.96144 131.0
[M]- 181.96254 131.0
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.