CID 171742

Schembl20435293

Structural Information

Molecular Formula
C9H13O5P
SMILES
CC1=CC(=CC=C1)OCCOP(=O)(O)O
InChI
InChI=1S/C9H13O5P/c1-8-3-2-4-9(7-8)13-5-6-14-15(10,11)12/h2-4,7H,5-6H2,1H3,(H2,10,11,12)
InChIKey
IMIAUWDZADDGDL-UHFFFAOYSA-N
Compound name
2-(3-methylphenoxy)ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

36
Patents

232.05006 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.057336 150.2
[M+Na]+ 255.039278 157.3
[M-H]- 231.042784 150.1
[M+NH4]+ 250.083883 167.3
[M+K]+ 271.013218 156.1
[M+H-H2O]+ 215.047320 142.4
[M+HCOO]- 277.048261 176.5
[M+CH3COO]- 291.063911 184.1
[M+Na-2H]- 253.024726 153.9
[M]+ 232.04951142 154.1
[M]- 232.05060858 154.1
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

patents stripe