CID 3060586

78218-97-0

Structural Information

Molecular Formula
C10H22Cl3N2O3P
SMILES
COCCCNP(=O)(N(CCCl)CCCl)OCCCl
InChI
InChI=1S/C10H22Cl3N2O3P/c1-17-9-2-6-14-19(16,18-10-5-13)15(7-3-11)8-4-12/h2-10H2,1H3,(H,14,16)
InChIKey
QTZYCFAYAIEITH-UHFFFAOYSA-N
Compound name
N-[bis(2-chloroethyl)amino-(2-chloroethoxy)phosphoryl]-3-methoxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.04337 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.050646 176.9
[M+Na]+ 377.032588 182.6
[M-H]- 353.036094 175.7
[M+NH4]+ 372.077193 192.2
[M+K]+ 393.006528 178.4
[M+H-H2O]+ 337.040630 171.3
[M+HCOO]- 399.041571 191.5
[M+CH3COO]- 413.057221 217.4
[M+Na-2H]- 375.018036 177.4
[M]+ 354.04282142 186.7
[M]- 354.04391858 186.7
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.