CID 22556514

2-chloro-4h-thieno[3,2-b]pyrrole-5-carboxylic acid

Structural Information

Molecular Formula
C7H4ClNO2S
SMILES
C1=C(NC2=C1SC(=C2)Cl)C(=O)O
InChI
InChI=1S/C7H4ClNO2S/c8-6-2-3-5(12-6)1-4(9-3)7(10)11/h1-2,9H,(H,10,11)
InChIKey
OWJRYNILRVVVFK-UHFFFAOYSA-N
Compound name
2-chloro-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

85
Patents

200.96513 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.97241 138.5
[M+Na]+ 223.95435 151.2
[M-H]- 199.95785 141.0
[M+NH4]+ 218.99895 161.7
[M+K]+ 239.92829 146.2
[M+H-H2O]+ 183.96239 135.4
[M+HCOO]- 245.96333 152.3
[M+CH3COO]- 259.97898 152.7
[M+Na-2H]- 221.93980 139.8
[M]+ 200.96458 143.1
[M]- 200.96568 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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