CID 3060579

B 861

Structural Information

Molecular Formula
C11H22Cl3N2O4P
SMILES
CC(=O)OCCCNP(=O)(N(CCCl)CCCl)OCCCl
InChI
InChI=1S/C11H22Cl3N2O4P/c1-11(17)19-9-2-6-15-21(18,20-10-5-14)16(7-3-12)8-4-13/h2-10H2,1H3,(H,15,18)
InChIKey
UAJQQCPLUDQEDQ-UHFFFAOYSA-N
Compound name
3-[[bis(2-chloroethyl)amino-(2-chloroethoxy)phosphoryl]amino]propyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.03827 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.04555 181.2
[M+Na]+ 405.02749 186.6
[M-H]- 381.03099 180.2
[M+NH4]+ 400.07209 195.5
[M+K]+ 421.00143 182.7
[M+H-H2O]+ 365.03553 175.7
[M+HCOO]- 427.03647 195.3
[M+CH3COO]- 441.05212 221.3
[M+Na-2H]- 403.01294 180.6
[M]+ 382.03772 191.6
[M]- 382.03882 191.6
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.