CID 3060567

78218-76-5

Structural Information

Molecular Formula
C9H21Cl3N3O2P
SMILES
C(CNP(=O)(NCCCl)N(CCCl)CCCl)CO
InChI
InChI=1S/C9H21Cl3N3O2P/c10-2-6-14-18(17,13-5-1-9-16)15(7-3-11)8-4-12/h16H,1-9H2,(H2,13,14,17)
InChIKey
OGTQRIPNMIFXGC-UHFFFAOYSA-N
Compound name
3-[[bis(2-chloroethyl)amino-(2-chloroethylamino)phosphoryl]amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.0437 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.05098 175.1
[M+Na]+ 362.03292 179.8
[M-H]- 338.03642 172.5
[M+NH4]+ 357.07752 189.9
[M+K]+ 378.00686 174.7
[M+H-H2O]+ 322.04096 169.6
[M+HCOO]- 384.04190 189.3
[M+CH3COO]- 398.05755 215.0
[M+Na-2H]- 360.01837 175.4
[M]+ 339.04315 180.4
[M]- 339.04425 180.4
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.