CID 16110

(3-hydroxypropyl)trimethylammonium ester with methylphosphonofluoridate

Structural Information

Molecular Formula
C7H18FNO2P
SMILES
C[N+](C)(C)CCCOP(=O)(C)F
InChI
InChI=1S/C7H18FNO2P/c1-9(2,3)6-5-7-11-12(4,8)10/h5-7H2,1-4H3/q+1
InChIKey
XYNGQJSDVCCUBH-UHFFFAOYSA-N
Compound name
3-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

198.10593 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.11321 142.3
[M+Na]+ 221.09515 149.6
[M-H]- 197.09865 142.1
[M+NH4]+ 216.13975 163.1
[M+K]+ 237.06909 144.8
[M+H-H2O]+ 181.10319 137.9
[M+HCOO]- 243.10413 169.6
[M+CH3COO]- 257.11978 184.5
[M+Na-2H]- 219.08060 150.3
[M]+ 198.10538 145.1
[M]- 198.10648 145.1
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