CID 204082

Choline, bromide, diphenyl phosphate

Structural Information

Molecular Formula
C17H23NO4P
SMILES
C[N+](C)(C)CCOP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C17H23NO4P/c1-18(2,3)14-15-20-23(19,21-16-10-6-4-7-11-16)22-17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3/q+1
InChIKey
VZJDOKUKBWQYDG-UHFFFAOYSA-N
Compound name
2-diphenoxyphosphoryloxyethyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

336.13647 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14375 180.4
[M+Na]+ 359.12569 184.9
[M-H]- 335.12919 186.9
[M+NH4]+ 354.17029 194.2
[M+K]+ 375.09963 178.1
[M+H-H2O]+ 319.13373 172.4
[M+HCOO]- 381.13467 208.4
[M+CH3COO]- 395.15032 206.7
[M+Na-2H]- 357.11114 188.5
[M]+ 336.13592 184.8
[M]- 336.13702 184.8
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

No patent data available for this compound.