CID 130788410

2,3-dichloro-1-benzothiophene-7-carboxylic acid

Structural Information

Molecular Formula
C9H4Cl2O2S
SMILES
C1=CC2=C(C(=C1)C(=O)O)SC(=C2Cl)Cl
InChI
InChI=1S/C9H4Cl2O2S/c10-6-4-2-1-3-5(9(12)13)7(4)14-8(6)11/h1-3H,(H,12,13)
InChIKey
SIGUHQRFXAAUIV-UHFFFAOYSA-N
Compound name
2,3-dichloro-1-benzothiophene-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.93091 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.93819 146.6
[M+Na]+ 268.92013 161.4
[M+NH4]+ 263.96473 156.5
[M+K]+ 284.89407 153.7
[M-H]- 244.92363 148.7
[M+Na-2H]- 266.90558 152.3
[M]+ 245.93036 150.4
[M]- 245.93146 150.4
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

No patent data available for this compound.