CID 171742

66057-30-5

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
2
Annotation Hits

0
References

28
Patents

232.05006 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05734 150.2
[M+Na]+ 255.03928 157.3
[M-H]- 231.04278 150.1
[M+NH4]+ 250.08388 167.3
[M+K]+ 271.01322 156.1
[M+H-H2O]+ 215.04732 142.4
[M+HCOO]- 277.04826 176.5
[M+CH3COO]- 291.06391 184.1
[M+Na-2H]- 253.02473 153.9
[M]+ 232.04951 154.1
[M]- 232.05061 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