CID 3051114

67292-65-3

Structural Information

Molecular Formula
C14H28Cl4N4O4P2
SMILES
C1COP(NC1OOC2CCOP(N2)N(CCCl)CCCl)N(CCCl)CCCl
InChI
InChI=1S/C14H28Cl4N4O4P2/c15-3-7-21(8-4-16)27-19-13(1-11-23-27)25-26-14-2-12-24-28(20-14)22(9-5-17)10-6-18/h13-14,19-20H,1-12H2
InChIKey
ONEITHXSXLGOTH-UHFFFAOYSA-N
Compound name
4-[[2-[bis(2-chloroethyl)amino]-1,3,2-oxazaphosphinan-4-yl]peroxy]-N,N-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.034 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.04128 204.8
[M+Na]+ 541.02322 204.4
[M-H]- 517.02672 203.0
[M+NH4]+ 536.06782 207.6
[M+K]+ 556.99716 203.2
[M+H-H2O]+ 501.03126 193.1
[M+HCOO]- 563.03220 206.8
[M+CH3COO]- 577.04785 241.4
[M+Na-2H]- 539.00867 197.3
[M]+ 518.03345 206.1
[M]- 518.03455 206.1
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

No patent data available for this compound.