CID 3060577

78218-86-7

Structural Information

Molecular Formula
C9H20BrCl2N2O3P
SMILES
C(CNP(=O)(N(CCCl)CCCl)OCCBr)CO
InChI
InChI=1S/C9H20BrCl2N2O3P/c10-2-9-17-18(16,13-5-1-8-15)14(6-3-11)7-4-12/h15H,1-9H2,(H,13,16)
InChIKey
HZLLJVZXJOCXKU-UHFFFAOYSA-N
Compound name
3-[[bis(2-chloroethyl)amino-(2-bromoethoxy)phosphoryl]amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.9772 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.98448 179.3
[M+Na]+ 406.96642 177.8
[M+NH4]+ 402.01102 181.1
[M+K]+ 422.94036 178.1
[M-H]- 382.96992 175.9
[M+Na-2H]- 404.95187 177.2
[M]+ 383.97665 177.0
[M]- 383.97775 177.0
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.