CID 122706379

(1s,2s)-3-phenoxycyclohexa-3,5-diene-1,2-diol

Structural Information

Molecular Formula
C12H12O3
SMILES
C1=CC=C(C=C1)OC2=CC=C[C@@H]([C@@H]2O)O
InChI
InChI=1S/C12H12O3/c13-10-7-4-8-11(12(10)14)15-9-5-2-1-3-6-9/h1-8,10,12-14H/t10-,12-/m0/s1
InChIKey
NNRRBGDYLHIAGC-JQWIXIFHSA-N
Compound name
(1S,2S)-3-phenoxycyclohexa-3,5-diene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

204.07864 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.085916 142.1
[M+Na]+ 227.067858 149.4
[M-H]- 203.071364 146.5
[M+NH4]+ 222.112463 159.7
[M+K]+ 243.041798 146.2
[M+H-H2O]+ 187.075900 135.7
[M+HCOO]- 249.076841 163.4
[M+CH3COO]- 263.092491 179.7
[M+Na-2H]- 225.053306 148.0
[M]+ 204.07809142 140.5
[M]- 204.07918858 140.5
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

No patent data available for this compound.