CID 3060575

78218-84-5

Structural Information

Molecular Formula
C14H31Cl2N2O3P
SMILES
CCCCCCCCOP(=O)(NCCO)N(CCCl)CCCl
InChI
InChI=1S/C14H31Cl2N2O3P/c1-2-3-4-5-6-7-14-21-22(20,17-10-13-19)18(11-8-15)12-9-16/h19H,2-14H2,1H3,(H,17,20)
InChIKey
PJMIYGPNWDWZMP-UHFFFAOYSA-N
Compound name
2-[[bis(2-chloroethyl)amino-octoxyphosphoryl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.14493 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.15221 191.2
[M+Na]+ 399.13415 194.6
[M-H]- 375.13765 188.7
[M+NH4]+ 394.17875 204.9
[M+K]+ 415.10809 189.9
[M+H-H2O]+ 359.14219 184.1
[M+HCOO]- 421.14313 208.5
[M+CH3COO]- 435.15878 222.0
[M+Na-2H]- 397.11960 189.9
[M]+ 376.14438 200.8
[M]- 376.14548 200.8
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.