CID 5287488

Ru78300

Structural Information

Molecular Formula
C8H9O6P
SMILES
COC1=CC=CC(=C1OP(=O)(O)O)C=O
InChI
InChI=1S/C8H9O6P/c1-13-7-4-2-3-6(5-9)8(7)14-15(10,11)12/h2-5H,1H3,(H2,10,11,12)
InChIKey
CGEZBCISRKFHLZ-UHFFFAOYSA-N
Compound name
(2-formyl-6-methoxyphenyl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

232.01367 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.02095 145.3
[M+Na]+ 255.00289 153.9
[M-H]- 231.00639 145.8
[M+NH4]+ 250.04749 162.5
[M+K]+ 270.97683 153.0
[M+H-H2O]+ 215.01093 137.7
[M+HCOO]- 277.01187 172.3
[M+CH3COO]- 291.02752 183.7
[M+Na-2H]- 252.98834 149.2
[M]+ 232.01312 149.9
[M]- 232.01422 149.9
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