CID 19786335

4-chloro-2-methoxy-1,3-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C5H4ClNO3S
SMILES
COC1=NC(=C(S1)C(=O)O)Cl
InChI
InChI=1S/C5H4ClNO3S/c1-10-5-7-3(6)2(11-5)4(8)9/h1H3,(H,8,9)
InChIKey
STGBSHLQPPTGRU-UHFFFAOYSA-N
Compound name
4-chloro-2-methoxy-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

192.96004 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.96732 133.4
[M+Na]+ 215.94926 144.4
[M-H]- 191.95276 135.7
[M+NH4]+ 210.99386 154.4
[M+K]+ 231.92320 141.4
[M+H-H2O]+ 175.95730 129.2
[M+HCOO]- 237.95824 147.1
[M+CH3COO]- 251.97389 175.4
[M+Na-2H]- 213.93471 134.6
[M]+ 192.95949 138.8
[M]- 192.96059 138.8
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