CID 853019

(r,r)-(+)-hydrobenzoin

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

2741
Patents

214.09938 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10666 148.6
[M+Na]+ 237.08860 161.9
[M+NH4]+ 232.13320 157.2
[M+K]+ 253.06254 155.3
[M-H]- 213.09210 152.3
[M+Na-2H]- 235.07405 157.5
[M]+ 214.09883 151.5
[M]- 214.09993 151.5
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