CID 21080074

Ethyl octylphosphonofluoridate

Structural Information

Molecular Formula
C10H22FO2P
SMILES
CCCCCCCCP(=O)(OCC)F
InChI
InChI=1S/C10H22FO2P/c1-3-5-6-7-8-9-10-14(11,12)13-4-2/h3-10H2,1-2H3
InChIKey
QXGGCRMRWONSSB-UHFFFAOYSA-N
Compound name
1-[ethoxy(fluoro)phosphoryl]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

24
Patents

224.13414 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14142 157.6
[M+Na]+ 247.12336 163.5
[M-H]- 223.12686 154.7
[M+NH4]+ 242.16796 176.7
[M+K]+ 263.09730 162.2
[M+H-H2O]+ 207.13140 149.4
[M+HCOO]- 269.13234 183.2
[M+CH3COO]- 283.14799 192.5
[M+Na-2H]- 245.10881 158.8
[M]+ 224.13359 162.7
[M]- 224.13469 162.7
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