CID 215196

Benzoic acid, 3-(4-(4-chlorophenyl)-2-thiazolyl)-

Structural Information

Molecular Formula
C16H10ClNO2S
SMILES
C1=CC(=CC(=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H10ClNO2S/c17-13-6-4-10(5-7-13)14-9-21-15(18-14)11-2-1-3-12(8-11)16(19)20/h1-9H,(H,19,20)
InChIKey
YKMSZGUJLCJGLR-UHFFFAOYSA-N
Compound name
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

315.0121 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.01938 168.7
[M+Na]+ 338.00132 179.2
[M-H]- 314.00482 177.1
[M+NH4]+ 333.04592 184.5
[M+K]+ 353.97526 172.2
[M+H-H2O]+ 298.00936 161.9
[M+HCOO]- 360.01030 182.0
[M+CH3COO]- 374.02595 180.8
[M+Na-2H]- 335.98677 168.6
[M]+ 315.01155 172.8
[M]- 315.01265 172.8
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