CID 3060584

78218-95-8

Structural Information

Molecular Formula
C15H33Cl2N2O3P
SMILES
CCCCCCCCOP(=O)(NCCCO)N(CCCl)CCCl
InChI
InChI=1S/C15H33Cl2N2O3P/c1-2-3-4-5-6-7-15-22-23(21,18-11-8-14-20)19(12-9-16)13-10-17/h20H,2-15H2,1H3,(H,18,21)
InChIKey
XCFUDYIFGWSULQ-UHFFFAOYSA-N
Compound name
3-[[bis(2-chloroethyl)amino-octoxyphosphoryl]amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.16058 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.16786 195.7
[M+Na]+ 413.14980 198.8
[M-H]- 389.15330 193.0
[M+NH4]+ 408.19440 208.8
[M+K]+ 429.12374 193.8
[M+H-H2O]+ 373.15784 188.4
[M+HCOO]- 435.15878 212.7
[M+CH3COO]- 449.17443 224.9
[M+Na-2H]- 411.13525 194.0
[M]+ 390.16003 205.7
[M]- 390.16113 205.7
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.