CID 12897099

4-(4-chlorophenyl)-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C11H8ClNO2
SMILES
C1=CC(=CC=C1C2=CNC(=C2)C(=O)O)Cl
InChI
InChI=1S/C11H8ClNO2/c12-9-3-1-7(2-4-9)8-5-10(11(14)15)13-6-8/h1-6,13H,(H,14,15)
InChIKey
GUKIPPRGKOCVAW-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

221.02435 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.031626 144.8
[M+Na]+ 244.013568 154.3
[M-H]- 220.017074 148.1
[M+NH4]+ 239.058173 163.1
[M+K]+ 259.987508 148.5
[M+H-H2O]+ 204.021610 139.0
[M+HCOO]- 266.022551 161.7
[M+CH3COO]- 280.038201 180.6
[M+Na-2H]- 241.999016 147.9
[M]+ 221.02380142 144.7
[M]- 221.02489858 144.7
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

patents stripe