CID 79324519

3-(2,6-dichlorophenyl)-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C11H7Cl2NO2
SMILES
C1=CC(=C(C(=C1)Cl)C2=C(NC=C2)C(=O)O)Cl
InChI
InChI=1S/C11H7Cl2NO2/c12-7-2-1-3-8(13)9(7)6-4-5-14-10(6)11(15)16/h1-5,14H,(H,15,16)
InChIKey
ZPVCPPDMBVXYOX-UHFFFAOYSA-N
Compound name
3-(2,6-dichlorophenyl)-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.98538 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.99266 150.5
[M+Na]+ 277.97460 161.2
[M-H]- 253.97810 153.4
[M+NH4]+ 273.01920 168.0
[M+K]+ 293.94854 154.1
[M+H-H2O]+ 237.98264 145.4
[M+HCOO]- 299.98358 162.2
[M+CH3COO]- 313.99923 186.5
[M+Na-2H]- 275.96005 152.1
[M]+ 254.98483 151.9
[M]- 254.98593 151.9
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.