CID 5287465

Ru78299

Structural Information

Molecular Formula
C9H9O6P
SMILES
CC1=CC(=C(C(=C1)C=O)OP(=O)(O)O)C=O
InChI
InChI=1S/C9H9O6P/c1-6-2-7(4-10)9(8(3-6)5-11)15-16(12,13)14/h2-5H,1H3,(H2,12,13,14)
InChIKey
NAYNUXXSJZLKPW-UHFFFAOYSA-N
Compound name
(2,6-diformyl-4-methylphenyl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

244.01367 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.02095 147.6
[M+Na]+ 267.00289 156.9
[M-H]- 243.00639 148.3
[M+NH4]+ 262.04749 164.5
[M+K]+ 282.97683 155.3
[M+H-H2O]+ 227.01093 140.2
[M+HCOO]- 289.01187 174.4
[M+CH3COO]- 303.02752 187.1
[M+Na-2H]- 264.98834 150.4
[M]+ 244.01312 152.3
[M]- 244.01422 152.3
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