CID 8556

Menadiol diphosphate

Structural Information

Molecular Formula
C11H12O8P2
SMILES
CC1=C(C2=CC=CC=C2C(=C1)OP(=O)(O)O)OP(=O)(O)O
InChI
InChI=1S/C11H12O8P2/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17/h2-6H,1H3,(H2,12,13,14)(H2,15,16,17)
InChIKey
JTNHOVZOOVVGHI-UHFFFAOYSA-N
Compound name
(2-methyl-4-phosphonooxynaphthalen-1-yl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

95
References

1233
Patents

334.00073 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.00801 169.5
[M+Na]+ 356.98995 177.6
[M+NH4]+ 352.03455 172.5
[M+K]+ 372.96389 177.3
[M-H]- 332.99345 165.6
[M+Na-2H]- 354.97540 170.4
[M]+ 334.00018 169.0
[M]- 334.00128 169.0
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