CID 6398366

Pd040598

Structural Information

Molecular Formula
C7H6O5P
SMILES
C1=CC=C(C(=C1)C(=O)O)O[P+](=O)O
InChI
InChI=1S/C7H5O5P/c8-7(9)5-3-1-2-4-6(5)12-13(10)11/h1-4H,(H-,8,9,10,11)/p+1
InChIKey
NNKLOOYFSWNRRG-UHFFFAOYSA-O
Compound name
(2-carboxyphenoxy)-hydroxy-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

200.99529 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.00257 138.8
[M+Na]+ 223.98451 146.2
[M-H]- 199.98801 139.5
[M+NH4]+ 219.02911 156.5
[M+K]+ 239.95845 139.9
[M+H-H2O]+ 183.99255 134.0
[M+HCOO]- 245.99349 165.3
[M+CH3COO]- 260.00914 171.0
[M+Na-2H]- 221.96996 142.9
[M]+ 200.99474 139.1
[M]- 200.99584 139.1
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