CID 762659

34576-89-1

Structural Information

Molecular Formula
C10H6Cl2O3S
SMILES
COC1=C(C2=C(C=C1)C(=C(S2)C(=O)O)Cl)Cl
InChI
InChI=1S/C10H6Cl2O3S/c1-15-5-3-2-4-6(11)9(10(13)14)16-8(4)7(5)12/h2-3H,1H3,(H,13,14)
InChIKey
VSTRNRLKTOVPGN-UHFFFAOYSA-N
Compound name
3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.94147 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.94875 151.4
[M+Na]+ 298.93069 164.7
[M-H]- 274.93419 156.1
[M+NH4]+ 293.97529 172.6
[M+K]+ 314.90463 158.9
[M+H-H2O]+ 258.93873 149.2
[M+HCOO]- 320.93967 161.2
[M+CH3COO]- 334.95532 191.8
[M+Na-2H]- 296.91614 152.7
[M]+ 275.94092 160.7
[M]- 275.94202 160.7
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.