CID 12345180

2-hydroxyacenaphthylen-1(2h)-one

Structural Information

Molecular Formula
C12H8O2
SMILES
C1=CC2=C3C(=C1)C(C(=O)C3=CC=C2)O
InChI
InChI=1S/C12H8O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6,11,13H
InChIKey
WREJKEDFEUAPKX-UHFFFAOYSA-N
Compound name
2-hydroxy-2H-acenaphthylen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

25
Patents

184.05243 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.05971 135.4
[M+Na]+ 207.04165 145.8
[M-H]- 183.04515 139.8
[M+NH4]+ 202.08625 159.3
[M+K]+ 223.01559 141.6
[M+H-H2O]+ 167.04969 130.7
[M+HCOO]- 229.05063 157.2
[M+CH3COO]- 243.06628 149.8
[M+Na-2H]- 205.02710 142.7
[M]+ 184.05188 136.7
[M]- 184.05298 136.7
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

patents stripe