CID 51722

Brn 1601525

Structural Information

Molecular Formula
C22H16ClNO3
SMILES
C1=CC=C(C=C1)C2(C3=C(C=CC(=C3)Cl)N(C2=O)CC(=O)O)C4=CC=CC=C4
InChI
InChI=1S/C22H16ClNO3/c23-17-11-12-19-18(13-17)22(15-7-3-1-4-8-15,16-9-5-2-6-10-16)21(27)24(19)14-20(25)26/h1-13H,14H2,(H,25,26)
InChIKey
JZXJJUSAPPIAEJ-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-oxo-3,3-diphenylindol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.08188 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.08916 187.3
[M+Na]+ 400.07110 203.6
[M+NH4]+ 395.11570 196.9
[M+K]+ 416.04504 194.5
[M-H]- 376.07460 192.9
[M+Na-2H]- 398.05655 197.4
[M]+ 377.08133 191.8
[M]- 377.08243 191.8
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.