CID 2779841

2-chlorosulfonyl-4-methyl-thiazole-5-carboxylic acid ethyl ester

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]+ 269.965576 153.5
[M+Na]+ 291.947518 164.4
[M-H]- 267.951024 157.0
[M+NH4]+ 286.992123 172.2
[M+K]+ 307.921458 160.3
[M+H-H2O]+ 251.955560 149.4
[M+HCOO]- 313.956501 161.5
[M+CH3COO]- 327.972151 188.8
[M+Na-2H]- 289.932966 153.1
[M]+ 268.95775142 161.6
[M]- 268.95884858 161.6
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.