CID 253080

Nsc75507

Structural Information

Molecular Formula
C32H24O2
SMILES
C1=CC=C(C=C1)C2=CC(=C(C=C2C3=CC=CC=C3)C(=O)O)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C32H24O2/c33-32(34)30-22-28(24-15-7-2-8-16-24)27(23-13-5-1-6-14-23)21-29(30)31(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22,31H,(H,33,34)
InChIKey
MJPKHNITVMAQDR-UHFFFAOYSA-N
Compound name
2-benzhydryl-4,5-diphenylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.17764 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.18492 211.0
[M+Na]+ 463.16686 214.6
[M-H]- 439.17036 223.7
[M+NH4]+ 458.21146 217.0
[M+K]+ 479.14080 206.6
[M+H-H2O]+ 423.17490 198.2
[M+HCOO]- 485.17584 228.9
[M+CH3COO]- 499.19149 218.2
[M+Na-2H]- 461.15231 211.2
[M]+ 440.17709 207.4
[M]- 440.17819 207.4
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.