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 188.5
[M+Na]+ 400.07110 198.2
[M-H]- 376.07460 197.1
[M+NH4]+ 395.11570 203.7
[M+K]+ 416.04504 190.5
[M+H-H2O]+ 360.07914 179.9
[M+HCOO]- 422.08008 203.1
[M+CH3COO]- 436.09573 199.0
[M+Na-2H]- 398.05655 190.0
[M]+ 377.08133 191.0
[M]- 377.08243 191.0
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.