CID 65499647

1-(2,6-dichlorophenyl)-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C11H7Cl2NO2
SMILES
C1=CC(=C(C(=C1)Cl)N2C=CC=C2C(=O)O)Cl
InChI
InChI=1S/C11H7Cl2NO2/c12-7-3-1-4-8(13)10(7)14-6-2-5-9(14)11(15)16/h1-6H,(H,15,16)
InChIKey
UEFSRFPQTPSWMF-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.98538 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.99266 150.3
[M+Na]+ 277.97460 161.4
[M-H]- 253.97810 154.5
[M+NH4]+ 273.01920 168.5
[M+K]+ 293.94854 155.2
[M+H-H2O]+ 237.98264 144.8
[M+HCOO]- 299.98358 163.4
[M+CH3COO]- 313.99923 188.9
[M+Na-2H]- 275.96005 152.3
[M]+ 254.98483 153.5
[M]- 254.98593 153.5
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.

Patent stripe

No patent data available for this compound.