CID 361831

10-ethynyl-10-hydroxy-9(10h)-anthracenone

Structural Information

Molecular Formula
C16H10O2
SMILES
C#CC1(C2=CC=CC=C2C(=O)C3=CC=CC=C31)O
InChI
InChI=1S/C16H10O2/c1-2-16(18)13-9-5-3-7-11(13)15(17)12-8-4-6-10-14(12)16/h1,3-10,18H
InChIKey
XCBBZYDQCIGHDN-UHFFFAOYSA-N
Compound name
10-ethynyl-10-hydroxyanthracen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.06808 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07536 158.4
[M+Na]+ 257.05730 172.0
[M-H]- 233.06080 161.4
[M+NH4]+ 252.10190 177.7
[M+K]+ 273.03124 161.8
[M+H-H2O]+ 217.06534 146.8
[M+HCOO]- 279.06628 172.6
[M+CH3COO]- 293.08193 169.4
[M+Na-2H]- 255.04275 164.7
[M]+ 234.06753 152.6
[M]- 234.06863 152.6
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.