CID 12927158

75777-32-1

Structural Information

Molecular Formula
C7H7O3P
SMILES
C1C2=CC=CC=C2P(=O)(O1)O
InChI
InChI=1S/C7H7O3P/c8-11(9)7-4-2-1-3-6(7)5-10-11/h1-4H,5H2,(H,8,9)
InChIKey
ITGRDCRATLPRID-UHFFFAOYSA-N
Compound name
1-hydroxy-3H-2,1lambda5-benzoxaphosphole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

170.01328 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02056 130.9
[M+Na]+ 193.00250 140.6
[M-H]- 169.00600 134.2
[M+NH4]+ 188.04710 154.8
[M+K]+ 208.97644 139.7
[M+H-H2O]+ 153.01054 124.6
[M+HCOO]- 215.01148 158.8
[M+CH3COO]- 229.02713 173.2
[M+Na-2H]- 190.98795 136.9
[M]+ 170.01273 132.5
[M]- 170.01383 132.5
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