CID 5387568

Nsc624776

Structural Information

Molecular Formula
C11H8O2
SMILES
C1=CC2=C(C(=O)C=C1)C(=CC=C2)O
InChI
InChI=1S/C11H8O2/c12-9-6-2-1-4-8-5-3-7-10(13)11(8)9/h1-7,13H
InChIKey
RKYXTQSVLVTUHR-UHFFFAOYSA-N
Compound name
4-hydroxybenzo[7]annulen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

172.05243 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.05971 128.8
[M+Na]+ 195.04165 137.8
[M-H]- 171.04515 134.4
[M+NH4]+ 190.08625 148.9
[M+K]+ 211.01559 139.0
[M+H-H2O]+ 155.04969 125.5
[M+HCOO]- 217.05063 152.5
[M+CH3COO]- 231.06628 143.2
[M+Na-2H]- 193.02710 138.0
[M]+ 172.05188 127.7
[M]- 172.05298 127.7
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

patents stripe