CID 175686334

4,4-dihydroxybutyl phenyl hydrogen phosphate

Structural Information

Molecular Formula
C10H15O6P
SMILES
C1=CC=C(C=C1)OP(=O)(O)OCCCC(O)O
InChI
InChI=1S/C10H15O6P/c11-10(12)7-4-8-15-17(13,14)16-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2,(H,13,14)
InChIKey
ZHSOPBFXUMPDLM-UHFFFAOYSA-N
Compound name
4,4-dihydroxybutyl phenyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.06064 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.06792 158.5
[M+Na]+ 285.04986 163.3
[M-H]- 261.05336 156.4
[M+NH4]+ 280.09446 173.0
[M+K]+ 301.02380 162.1
[M+H-H2O]+ 245.05790 150.2
[M+HCOO]- 307.05884 182.0
[M+CH3COO]- 321.07449 186.6
[M+Na-2H]- 283.03531 160.7
[M]+ 262.06009 161.1
[M]- 262.06119 161.1
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.