CID 101353

9,10-phenanthrenediol, monoacetate

Structural Information

Molecular Formula
C16H12O3
SMILES
CC(=O)OC1=C(C2=CC=CC=C2C3=CC=CC=C31)O
InChI
InChI=1S/C16H12O3/c1-10(17)19-16-14-9-5-3-7-12(14)11-6-2-4-8-13(11)15(16)18/h2-9,18H,1H3
InChIKey
MKAILPKBUQHGKH-UHFFFAOYSA-N
Compound name
(10-hydroxyphenanthren-9-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.07864 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.085916 153.1
[M+Na]+ 275.067858 163.4
[M-H]- 251.071364 158.2
[M+NH4]+ 270.112463 172.0
[M+K]+ 291.041798 159.1
[M+H-H2O]+ 235.075900 146.4
[M+HCOO]- 297.076841 174.6
[M+CH3COO]- 311.092491 166.3
[M+Na-2H]- 273.053306 161.2
[M]+ 252.07809142 156.6
[M]- 252.07918858 156.6
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.