CID 11402004

Dtxsid201338052

Structural Information

Molecular Formula
C12H9O3P
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3P(=O)(O2)O
InChI
InChI=1S/C12H9O3P/c13-16(14)12-8-4-2-6-10(12)9-5-1-3-7-11(9)15-16/h1-8H,(H,13,14)
InChIKey
YTLIXUAGIGBJAF-UHFFFAOYSA-N
Compound name
6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

216
Patents

232.02893 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.03621 147.9
[M+Na]+ 255.01815 157.8
[M-H]- 231.02165 152.1
[M+NH4]+ 250.06275 168.4
[M+K]+ 270.99209 155.3
[M+H-H2O]+ 215.02619 139.2
[M+HCOO]- 277.02713 173.0
[M+CH3COO]- 291.04278 187.6
[M+Na-2H]- 253.00360 155.4
[M]+ 232.02838 149.3
[M]- 232.02948 149.3
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