CID 417070

1,2,3-triphenyl-1-indenol

Structural Information

Molecular Formula
C27H20O
SMILES
C1=CC=C(C=C1)C2=C(C(C3=CC=CC=C32)(C4=CC=CC=C4)O)C5=CC=CC=C5
InChI
InChI=1S/C27H20O/c28-27(22-16-8-3-9-17-22)24-19-11-10-18-23(24)25(20-12-4-1-5-13-20)26(27)21-14-6-2-7-15-21/h1-19,28H
InChIKey
ADZZBNYBYSNNGJ-UHFFFAOYSA-N
Compound name
1,2,3-triphenylinden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.15143 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.15871 190.4
[M+Na]+ 383.14065 198.6
[M-H]- 359.14415 203.0
[M+NH4]+ 378.18525 206.0
[M+K]+ 399.11459 190.0
[M+H-H2O]+ 343.14869 180.1
[M+HCOO]- 405.14963 211.8
[M+CH3COO]- 419.16528 201.0
[M+Na-2H]- 381.12610 193.8
[M]+ 360.15088 188.8
[M]- 360.15198 188.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.