CID 77505

Dihexyl hydrogen phosphate

Structural Information

Molecular Formula
C12H27O4P
SMILES
CCCCCCOP(=O)(O)OCCCCCC
InChI
InChI=1S/C12H27O4P/c1-3-5-7-9-11-15-17(13,14)16-12-10-8-6-4-2/h3-12H2,1-2H3,(H,13,14)
InChIKey
HUDSKKNIXMSHSZ-UHFFFAOYSA-N
Compound name
dihexyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2119
Patents

266.1647 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17198 170.3
[M+Na]+ 289.15392 174.8
[M-H]- 265.15742 167.0
[M+NH4]+ 284.19852 187.0
[M+K]+ 305.12786 173.5
[M+H-H2O]+ 249.16196 162.5
[M+HCOO]- 311.16290 195.3
[M+CH3COO]- 325.17855 197.1
[M+Na-2H]- 287.13937 170.9
[M]+ 266.16415 178.3
[M]- 266.16525 178.3
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.