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

223
Patents

322.2273 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.234576 188.9
[M+Na]+ 345.216518 191.7
[M-H]- 321.220024 184.8
[M+NH4]+ 340.261123 203.3
[M+K]+ 361.190458 189.4
[M+H-H2O]+ 305.224560 180.3
[M+HCOO]- 367.225501 212.6
[M+CH3COO]- 381.241151 209.1
[M+Na-2H]- 343.201966 187.5
[M]+ 322.22675142 198.4
[M]- 322.22784858 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