CID 122921

1,4-diphenylcyclohexane-1,4-diol

Structural Information

Molecular Formula
C18H20O2
SMILES
C1CC(CCC1(C2=CC=CC=C2)O)(C3=CC=CC=C3)O
InChI
InChI=1S/C18H20O2/c19-17(15-7-3-1-4-8-15)11-13-18(20,14-12-17)16-9-5-2-6-10-16/h1-10,19-20H,11-14H2
InChIKey
USAODBZLWPXYON-UHFFFAOYSA-N
Compound name
1,4-diphenylcyclohexane-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

268.14633 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15361 165.3
[M+Na]+ 291.13555 170.6
[M-H]- 267.13905 172.0
[M+NH4]+ 286.18015 183.4
[M+K]+ 307.10949 165.7
[M+H-H2O]+ 251.14359 157.6
[M+HCOO]- 313.14453 182.9
[M+CH3COO]- 327.16018 175.7
[M+Na-2H]- 289.12100 170.9
[M]+ 268.14578 159.2
[M]- 268.14688 159.2
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

patents stripe