CID 103474

Diisooctyl phosphate

Structural Information

Molecular Formula
C16H35O4P
SMILES
CC(C)CCCCCOP(=O)(O)OCCCCCC(C)C
InChI
InChI=1S/C16H35O4P/c1-15(2)11-7-5-9-13-19-21(17,18)20-14-10-6-8-12-16(3)4/h15-16H,5-14H2,1-4H3,(H,17,18)
InChIKey
SNAMIIGIIUQQSP-UHFFFAOYSA-N
Compound name
bis(6-methylheptyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1095
Patents

322.2273 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.234576 189.4
[M+Na]+ 345.216518 191.8
[M-H]- 321.220024 185.5
[M+NH4]+ 340.261123 187.3
[M+K]+ 361.190458 190.5
[M+H-H2O]+ 305.224560 181.1
[M+HCOO]- 367.225501 197.9
[M+CH3COO]- 381.241151 210.6
[M+Na-2H]- 343.201966 185.5
[M]+ 322.22675142 197.6
[M]- 322.22784858 197.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe