CID 43156421

878555-97-6

Structural Information

Molecular Formula
C10H6ClNO2S
SMILES
C1=CC(=CC(=C1)Cl)C2=NC=C(S2)C(=O)O
InChI
InChI=1S/C10H6ClNO2S/c11-7-3-1-2-6(4-7)9-12-5-8(15-9)10(13)14/h1-5H,(H,13,14)
InChIKey
GMTASVFGLFONMF-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

238.98077 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.988046 147.2
[M+Na]+ 261.969988 157.9
[M-H]- 237.973494 152.5
[M+NH4]+ 257.014593 166.3
[M+K]+ 277.943928 152.7
[M+H-H2O]+ 221.978030 141.8
[M+HCOO]- 283.978971 160.9
[M+CH3COO]- 297.994621 160.5
[M+Na-2H]- 259.955436 148.3
[M]+ 238.98022142 151.0
[M]- 238.98131858 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