CID 81561435

1515064-49-9

Structural Information

Molecular Formula
C11H8ClNO2
SMILES
C1=CN(C=C1)C2=CC(=CC(=C2)C(=O)O)Cl
InChI
InChI=1S/C11H8ClNO2/c12-9-5-8(11(14)15)6-10(7-9)13-3-1-2-4-13/h1-7H,(H,14,15)
InChIKey
STMPSFAEDOKLLJ-UHFFFAOYSA-N
Compound name
3-chloro-5-pyrrol-1-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.02435 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.03163 144.7
[M+Na]+ 244.01357 158.8
[M+NH4]+ 239.05817 153.1
[M+K]+ 259.98751 153.9
[M-H]- 220.01707 147.3
[M+Na-2H]- 241.99902 152.5
[M]+ 221.02380 147.7
[M]- 221.02490 147.7
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

No patent data available for this compound.