CID 6398374

Schembl21067578

Structural Information

Molecular Formula
C9H12O3P
SMILES
CC1=CC=C(C=C1)OCC[P+](=O)O
InChI
InChI=1S/C9H11O3P/c1-8-2-4-9(5-3-8)12-6-7-13(10)11/h2-5H,6-7H2,1H3/p+1
InChIKey
FTYNXKQAXHPCMT-UHFFFAOYSA-O
Compound name
hydroxy-[2-(4-methylphenoxy)ethyl]-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

199.0524 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.059676 144.2
[M+Na]+ 222.041618 151.5
[M-H]- 198.045124 145.9
[M+NH4]+ 217.086223 163.2
[M+K]+ 238.015558 144.6
[M+H-H2O]+ 182.049660 139.2
[M+HCOO]- 244.050601 172.0
[M+CH3COO]- 258.066251 175.8
[M+Na-2H]- 220.027066 148.6
[M]+ 199.05185142 145.8
[M]- 199.05294858 145.8
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