CID 113567

2-(2(or 4)-isononylphenoxy)ethyl dihydrogen phosphate

Structural Information

Molecular Formula
C17H29O5P
SMILES
CC(C)CCCCCCC1=CC=C(C=C1)OCCOP(=O)(O)O
InChI
InChI=1S/C17H29O5P/c1-15(2)7-5-3-4-6-8-16-9-11-17(12-10-16)21-13-14-22-23(18,19)20/h9-12,15H,3-8,13-14H2,1-2H3,(H2,18,19,20)
InChIKey
SVVDLSHAPBYPFP-UHFFFAOYSA-N
Compound name
2-[4-(7-methyloctyl)phenoxy]ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.17526 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18254 188.0
[M+Na]+ 367.16448 191.3
[M-H]- 343.16798 186.5
[M+NH4]+ 362.20908 200.4
[M+K]+ 383.13842 188.9
[M+H-H2O]+ 327.17252 178.7
[M+HCOO]- 389.17346 210.5
[M+CH3COO]- 403.18911 209.0
[M+Na-2H]- 365.14993 186.3
[M]+ 344.17471 194.1
[M]- 344.17581 194.1
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.