CID 145913739

4,6-dichlorothieno[3,2-c]pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C8H3Cl2NO2S
SMILES
C1=C2C(=C(N=C1Cl)Cl)C=C(S2)C(=O)O
InChI
InChI=1S/C8H3Cl2NO2S/c9-6-2-4-3(7(10)11-6)1-5(14-4)8(12)13/h1-2H,(H,12,13)
InChIKey
YGWDWLPCPQZQPV-UHFFFAOYSA-N
Compound name
4,6-dichlorothieno[3,2-c]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.92615 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.93343 143.4
[M+Na]+ 269.91537 157.0
[M-H]- 245.91887 146.6
[M+NH4]+ 264.95997 164.2
[M+K]+ 285.88931 151.1
[M+H-H2O]+ 229.92341 140.3
[M+HCOO]- 291.92435 152.4
[M+CH3COO]- 305.94000 157.3
[M+Na-2H]- 267.90082 145.9
[M]+ 246.92560 150.6
[M]- 246.92670 150.6
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.