CID 97886

2,3-diphenylbutane-2,3-diol

Structural Information

Molecular Formula
C16H18O2
SMILES
CC(C1=CC=CC=C1)(C(C)(C2=CC=CC=C2)O)O
InChI
InChI=1S/C16H18O2/c1-15(17,13-9-5-3-6-10-13)16(2,18)14-11-7-4-8-12-14/h3-12,17-18H,1-2H3
InChIKey
URPRLFISKOCZHR-UHFFFAOYSA-N
Compound name
2,3-diphenylbutane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

378
Patents

242.13068 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.137956 156.1
[M+Na]+ 265.119898 161.8
[M-H]- 241.123404 159.9
[M+NH4]+ 260.164503 171.9
[M+K]+ 281.093838 157.7
[M+H-H2O]+ 225.127940 149.9
[M+HCOO]- 287.128881 174.0
[M+CH3COO]- 301.144531 187.9
[M+Na-2H]- 263.105346 163.8
[M]+ 242.13013142 154.1
[M]- 242.13122858 154.1
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