CID 18938016

2,5-dichloro-4-methylthiophene-3-carboxylic acid

Structural Information

Molecular Formula
C6H4Cl2O2S
SMILES
CC1=C(SC(=C1C(=O)O)Cl)Cl
InChI
InChI=1S/C6H4Cl2O2S/c1-2-3(6(9)10)5(8)11-4(2)7/h1H3,(H,9,10)
InChIKey
JPYXBZFCVCNOHB-UHFFFAOYSA-N
Compound name
2,5-dichloro-4-methylthiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

209.93091 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.93819 140.1
[M+Na]+ 232.92013 152.4
[M+NH4]+ 227.96473 149.0
[M+K]+ 248.89407 146.2
[M-H]- 208.92363 140.7
[M+Na-2H]- 230.90558 143.9
[M]+ 209.93036 142.9
[M]- 209.93146 142.9
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