CID 178244147

(5,6-dihydroxy-3-methyl-4-oxocyclohexa-1,5-dien-1-yl)-hydroxy-oxophosphanium

Structural Information

Molecular Formula
C7H8O5P
SMILES
CC1C=C(C(=C(C1=O)O)O)[P+](=O)O
InChI
InChI=1S/C7H7O5P/c1-3-2-4(13(11)12)6(9)7(10)5(3)8/h2-3H,1H3,(H2-,8,9,10,11,12)/p+1
InChIKey
CRCIVSXNVCNBBN-UHFFFAOYSA-O
Compound name
(5,6-dihydroxy-3-methyl-4-oxocyclohexa-1,5-dien-1-yl)-hydroxy-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.01094 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.018216 138.3
[M+Na]+ 226.000158 147.2
[M-H]- 202.003664 138.2
[M+NH4]+ 221.044763 156.2
[M+K]+ 241.974098 139.9
[M+H-H2O]+ 186.008200 134.5
[M+HCOO]- 248.009141 162.7
[M+CH3COO]- 262.024791 171.8
[M+Na-2H]- 223.985606 140.5
[M]+ 203.01039142 137.2
[M]- 203.01148858 137.2
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

No patent data available for this compound.