CID 25572671

4,5-dichloro-1-methyl-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C6H5Cl2NO2
SMILES
CN1C(=CC(=C1Cl)Cl)C(=O)O
InChI
InChI=1S/C6H5Cl2NO2/c1-9-4(6(10)11)2-3(7)5(9)8/h2H,1H3,(H,10,11)
InChIKey
HYTNNBPECCEHBB-UHFFFAOYSA-N
Compound name
4,5-dichloro-1-methylpyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.96973 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.97701 133.2
[M+Na]+ 215.95895 145.1
[M-H]- 191.96245 134.6
[M+NH4]+ 211.00355 154.3
[M+K]+ 231.93289 140.5
[M+H-H2O]+ 175.96699 129.6
[M+HCOO]- 237.96793 146.5
[M+CH3COO]- 251.98358 178.5
[M+Na-2H]- 213.94440 135.7
[M]+ 192.96918 136.5
[M]- 192.97028 136.5
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.

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No patent data available for this compound.