CID 853019

(1r,2r)-1,2-diphenylethane-1,2-diol

Structural Information

Molecular Formula
C14H14O2
SMILES
C1=CC=C(C=C1)[C@H]([C@@H](C2=CC=CC=C2)O)O
InChI
InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/m1/s1
InChIKey
IHPDTPWNFBQHEB-ZIAGYGMSSA-N
Compound name
(1R,2R)-1,2-diphenylethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

45
References

2793
Patents

214.09938 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.106656 147.7
[M+Na]+ 237.088598 152.8
[M-H]- 213.092104 151.4
[M+NH4]+ 232.133203 164.2
[M+K]+ 253.062538 149.2
[M+H-H2O]+ 197.096640 141.0
[M+HCOO]- 259.097581 167.5
[M+CH3COO]- 273.113231 182.7
[M+Na-2H]- 235.074046 152.4
[M]+ 214.09883142 144.6
[M]- 214.09992858 144.6
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