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

20
Patents

221.02435 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.03163 144.8
[M+Na]+ 244.01357 154.3
[M-H]- 220.01707 148.1
[M+NH4]+ 239.05817 163.1
[M+K]+ 259.98751 148.5
[M+H-H2O]+ 204.02161 139.0
[M+HCOO]- 266.02255 161.7
[M+CH3COO]- 280.03820 180.6
[M+Na-2H]- 241.99902 147.9
[M]+ 221.02380 144.7
[M]- 221.02490 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