CID 15591289

Schembl266048

Structural Information

Molecular Formula
C16H27O4P
SMILES
CC(C)CCCCCCCOP(=O)(O)OC1=CC=CC=C1
InChI
InChI=1S/C16H27O4P/c1-15(2)11-7-4-3-5-10-14-19-21(17,18)20-16-12-8-6-9-13-16/h6,8-9,12-13,15H,3-5,7,10-11,14H2,1-2H3,(H,17,18)
InChIKey
AKBNVVSLLFFDKS-UHFFFAOYSA-N
Compound name
8-methylnonyl phenyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1219
Patents

314.1647 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.17198 181.0
[M+Na]+ 337.15392 184.5
[M-H]- 313.15742 180.7
[M+NH4]+ 332.19852 195.2
[M+K]+ 353.12786 182.3
[M+H-H2O]+ 297.16196 171.6
[M+HCOO]- 359.16290 205.2
[M+CH3COO]- 373.17855 205.2
[M+Na-2H]- 335.13937 180.7
[M]+ 314.16415 186.8
[M]- 314.16525 186.8
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