CID 50987961

4-chloro-1-ethyl-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C7H8ClNO2
SMILES
CCN1C=C(C=C1C(=O)O)Cl
InChI
InChI=1S/C7H8ClNO2/c1-2-9-4-5(8)3-6(9)7(10)11/h3-4H,2H2,1H3,(H,10,11)
InChIKey
QOQIVKRHJNMVAZ-UHFFFAOYSA-N
Compound name
4-chloro-1-ethylpyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.02435 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.031626 132.4
[M+Na]+ 196.013568 142.8
[M-H]- 172.017074 134.0
[M+NH4]+ 191.058173 153.8
[M+K]+ 211.987508 139.4
[M+H-H2O]+ 156.021610 127.8
[M+HCOO]- 218.022551 150.6
[M+CH3COO]- 232.038201 175.5
[M+Na-2H]- 193.999016 135.8
[M]+ 173.02380142 135.0
[M]- 173.02489858 135.0
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.