CID 13073230

3-(3-chlorophenyl)-1,2-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C10H6ClNO2S
SMILES
C1=CC(=CC(=C1)Cl)C2=NSC(=C2)C(=O)O
InChI
InChI=1S/C10H6ClNO2S/c11-7-3-1-2-6(4-7)8-5-9(10(13)14)15-12-8/h1-5H,(H,13,14)
InChIKey
NWUAHXGTLGILNN-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-1,2-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

238.98077 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.98805 147.2
[M+Na]+ 261.96999 157.9
[M-H]- 237.97349 152.5
[M+NH4]+ 257.01459 166.3
[M+K]+ 277.94393 152.7
[M+H-H2O]+ 221.97803 141.8
[M+HCOO]- 283.97897 160.9
[M+CH3COO]- 297.99462 160.5
[M+Na-2H]- 259.95544 148.3
[M]+ 238.98022 151.0
[M]- 238.98132 151.0
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