CID 14555326

Dichloro-1,3-thiazole-4-carboxylic acid

Structural Information

Molecular Formula
C4HCl2NO2S
SMILES
C1(=C(SC(=N1)Cl)Cl)C(=O)O
InChI
InChI=1S/C4HCl2NO2S/c5-2-1(3(8)9)7-4(6)10-2/h(H,8,9)
InChIKey
YECAGDHSLDVMAG-UHFFFAOYSA-N
Compound name
2,5-dichloro-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

196.9105 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.91778 131.7
[M+Na]+ 219.89972 143.4
[M-H]- 195.90322 133.6
[M+NH4]+ 214.94432 152.9
[M+K]+ 235.87366 138.9
[M+H-H2O]+ 179.90776 128.6
[M+HCOO]- 241.90870 140.4
[M+CH3COO]- 255.92435 175.3
[M+Na-2H]- 217.88517 132.5
[M]+ 196.90995 136.0
[M]- 196.91105 136.0
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

patents stripe