CID 40932

4,4'-dichlorodiphenylmethyl-1-indoleacetic acid

Structural Information

Molecular Formula
C23H17Cl2NO2
SMILES
C1=CC=C2C(=C1)C(=CN2CC(=O)O)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H17Cl2NO2/c24-17-9-5-15(6-10-17)23(16-7-11-18(25)12-8-16)20-13-26(14-22(27)28)21-4-2-1-3-19(20)21/h1-13,23H,14H2,(H,27,28)
InChIKey
QTYWEBZPEFFAAC-UHFFFAOYSA-N
Compound name
2-[3-[bis(4-chlorophenyl)methyl]indol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.06363 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.07091 194.6
[M+Na]+ 432.05285 204.5
[M-H]- 408.05635 202.4
[M+NH4]+ 427.09745 207.1
[M+K]+ 448.02679 195.7
[M+H-H2O]+ 392.06089 186.1
[M+HCOO]- 454.06183 205.0
[M+CH3COO]- 468.07748 204.3
[M+Na-2H]- 430.03830 194.4
[M]+ 409.06308 200.1
[M]- 409.06418 200.1
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.