CID 43155170

7-chloro-3-methylbenzo[b]thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C10H7ClO2S
SMILES
CC1=C(SC2=C1C=CC=C2Cl)C(=O)O
InChI
InChI=1S/C10H7ClO2S/c1-5-6-3-2-4-7(11)9(6)14-8(5)10(12)13/h2-4H,1H3,(H,12,13)
InChIKey
JXEJPBOIKNNLQX-UHFFFAOYSA-N
Compound name
7-chloro-3-methyl-1-benzothiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

225.98553 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.99281 144.0
[M+Na]+ 248.97475 158.2
[M+NH4]+ 244.01935 153.8
[M+K]+ 264.94869 151.0
[M-H]- 224.97825 146.2
[M+Na-2H]- 246.96020 149.6
[M]+ 225.98498 147.5
[M]- 225.98608 147.5
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