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]+ 205.08592 142.1
[M+Na]+ 227.06786 149.4
[M-H]- 203.07136 146.5
[M+NH4]+ 222.11246 159.7
[M+K]+ 243.04180 146.2
[M+H-H2O]+ 187.07590 135.7
[M+HCOO]- 249.07684 163.4
[M+CH3COO]- 263.09249 179.7
[M+Na-2H]- 225.05331 148.0
[M]+ 204.07809 140.5
[M]- 204.07919 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.