CID 2779841

89694-92-8

Structural Information

Molecular Formula
C7H8ClNO4S2
SMILES
CCOC(=O)C1=C(N=C(S1)S(=O)(=O)Cl)C
InChI
InChI=1S/C7H8ClNO4S2/c1-3-13-6(10)5-4(2)9-7(14-5)15(8,11)12/h3H2,1-2H3
InChIKey
CHGYKFWENBEGJU-UHFFFAOYSA-N
Compound name
ethyl 2-chlorosulfonyl-4-methyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.9583 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.96558 159.4
[M+Na]+ 291.94752 168.9
[M+NH4]+ 286.99212 165.8
[M+K]+ 307.92146 162.9
[M-H]- 267.95102 157.9
[M+Na-2H]- 289.93297 160.8
[M]+ 268.95775 161.3
[M]- 268.95885 161.3
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

No patent data available for this compound.