CID 44541

63469-15-8

Structural Information

Molecular Formula
C28H26O2
SMILES
C1=CC=C(C=C1)C(CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O)(C4=CC=CC=C4)O
InChI
InChI=1S/C28H26O2/c29-27(23-13-5-1-6-14-23,24-15-7-2-8-16-24)21-22-28(30,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,29-30H,21-22H2
InChIKey
XRTGYBHBFOYLOB-UHFFFAOYSA-N
Compound name
1,1,4,4-tetraphenylbutane-1,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

185
Patents

394.19327 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.20055 197.2
[M+Na]+ 417.18249 199.8
[M-H]- 393.18599 205.5
[M+NH4]+ 412.22709 205.0
[M+K]+ 433.15643 192.3
[M+H-H2O]+ 377.19053 186.8
[M+HCOO]- 439.19147 213.0
[M+CH3COO]- 453.20712 204.5
[M+Na-2H]- 415.16794 203.3
[M]+ 394.19272 193.3
[M]- 394.19382 193.3
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

patents stripe