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

2
Patents

199.0524 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.05968 144.2
[M+Na]+ 222.04162 151.5
[M-H]- 198.04512 145.9
[M+NH4]+ 217.08622 163.2
[M+K]+ 238.01556 144.6
[M+H-H2O]+ 182.04966 139.2
[M+HCOO]- 244.05060 172.0
[M+CH3COO]- 258.06625 175.8
[M+Na-2H]- 220.02707 148.6
[M]+ 199.05185 145.8
[M]- 199.05295 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