CID 99087

(1,2)-acenaphthenediol

Structural Information

Molecular Formula
C12H10O2
SMILES
C1=CC2=C3C(=C1)C(C(C3=CC=C2)O)O
InChI
InChI=1S/C12H10O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6,11-14H
InChIKey
ARGFAPRYULRPAN-UHFFFAOYSA-N
Compound name
1,2-dihydroacenaphthylene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

56
Patents

186.06808 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.07536 136.9
[M+Na]+ 209.05730 146.7
[M-H]- 185.06080 139.9
[M+NH4]+ 204.10190 160.1
[M+K]+ 225.03124 142.2
[M+H-H2O]+ 169.06534 132.5
[M+HCOO]- 231.06628 157.1
[M+CH3COO]- 245.08193 150.7
[M+Na-2H]- 207.04275 143.8
[M]+ 186.06753 137.1
[M]- 186.06863 137.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.