CID 2778382

5-chloro-4-methoxythiophene-3-carboxylic acid

Structural Information

Molecular Formula
C6H5ClO3S
SMILES
COC1=C(SC=C1C(=O)O)Cl
InChI
InChI=1S/C6H5ClO3S/c1-10-4-3(6(8)9)2-11-5(4)7/h2H,1H3,(H,8,9)
InChIKey
CEOFOUVVEMMYDW-UHFFFAOYSA-N
Compound name
5-chloro-4-methoxythiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

89
Patents

191.9648 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.97208 134.5
[M+Na]+ 214.95402 145.1
[M-H]- 190.95752 138.1
[M+NH4]+ 209.99862 156.9
[M+K]+ 230.92796 141.8
[M+H-H2O]+ 174.96206 131.2
[M+HCOO]- 236.96300 149.2
[M+CH3COO]- 250.97865 175.7
[M+Na-2H]- 212.93947 135.3
[M]+ 191.96425 139.9
[M]- 191.96535 139.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe