CID 137964070

2-formamido-4-methyl-1,3-thiazole-5-sulfonyl fluoride

Structural Information

Molecular Formula
C5H5FN2O3S2
SMILES
CC1=C(SC(=N1)NC=O)S(=O)(=O)F
InChI
InChI=1S/C5H5FN2O3S2/c1-3-4(13(6,10)11)12-5(8-3)7-2-9/h2H,1H3,(H,7,8,9)
InChIKey
KSOPQNDGFXFWHY-UHFFFAOYSA-N
Compound name
2-formamido-4-methyl-1,3-thiazole-5-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.97256 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.97984 141.5
[M+Na]+ 246.96178 152.4
[M-H]- 222.96528 143.3
[M+NH4]+ 242.00638 160.7
[M+K]+ 262.93572 148.4
[M+H-H2O]+ 206.96982 135.3
[M+HCOO]- 268.97076 155.2
[M+CH3COO]- 282.98641 184.4
[M+Na-2H]- 244.94723 143.2
[M]+ 223.97201 144.6
[M]- 223.97311 144.6
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.