CID 109690

Einecs 269-041-1

Structural Information

Molecular Formula
C16H35O4P
SMILES
CCCCCCCCCOP(=O)(O)OCCCCCCC
InChI
InChI=1S/C16H35O4P/c1-3-5-7-9-10-12-14-16-20-21(17,18)19-15-13-11-8-6-4-2/h3-16H2,1-2H3,(H,17,18)
InChIKey
NYKANSKCKXDDMQ-UHFFFAOYSA-N
Compound name
heptyl nonyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

228
Patents

322.2273 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.23458 188.9
[M+Na]+ 345.21652 191.7
[M-H]- 321.22002 184.8
[M+NH4]+ 340.26112 203.3
[M+K]+ 361.19046 189.4
[M+H-H2O]+ 305.22456 180.3
[M+HCOO]- 367.22550 212.6
[M+CH3COO]- 381.24115 209.1
[M+Na-2H]- 343.20197 187.5
[M]+ 322.22675 198.4
[M]- 322.22785 198.4
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