CID 4980410

472804-18-5

Structural Information

Molecular Formula
C11H7Cl2NO2S
SMILES
CC1=C(SC(=N1)C2=C(C=C(C=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C11H7Cl2NO2S/c1-5-9(11(15)16)17-10(14-5)7-3-2-6(12)4-8(7)13/h2-4H,1H3,(H,15,16)
InChIKey
ZEQMLJVLQKBPNX-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

286.95746 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.96474 156.5
[M+Na]+ 309.94668 168.6
[M-H]- 285.95018 161.8
[M+NH4]+ 304.99128 174.6
[M+K]+ 325.92062 162.2
[M+H-H2O]+ 269.95472 152.2
[M+HCOO]- 331.95566 164.7
[M+CH3COO]- 345.97131 193.7
[M+Na-2H]- 307.93213 155.2
[M]+ 286.95691 162.4
[M]- 286.95801 162.4
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