CID 5467951

Nsc660670

Structural Information

Molecular Formula
C11H13O6P
SMILES
CC(=O)/C=C/C1=CC(=C(C=C1)OP(=O)(O)O)OC
InChI
InChI=1S/C11H13O6P/c1-8(12)3-4-9-5-6-10(11(7-9)16-2)17-18(13,14)15/h3-7H,1-2H3,(H2,13,14,15)/b4-3+
InChIKey
UJHLLPOTVSIRQZ-ONEGZZNKSA-N
Compound name
[2-methoxy-4-[(E)-3-oxobut-1-enyl]phenyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.04498 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.05226 157.8
[M+Na]+ 295.03420 165.2
[M-H]- 271.03770 158.0
[M+NH4]+ 290.07880 173.3
[M+K]+ 311.00814 163.7
[M+H-H2O]+ 255.04224 150.0
[M+HCOO]- 317.04318 183.1
[M+CH3COO]- 331.05883 192.0
[M+Na-2H]- 293.01965 159.1
[M]+ 272.04443 162.2
[M]- 272.04553 162.2
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.