CID 3060577

Phosphorodiamidic acid, n,n-bis(2-chloroethyl)-n'-(3-hydroxypropyl)-, (2-bromoethyl) ester

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 182.3
[M+Na]+ 406.96642 191.5
[M-H]- 382.96992 183.3
[M+NH4]+ 402.01102 199.2
[M+K]+ 422.94036 177.2
[M+H-H2O]+ 366.97446 180.2
[M+HCOO]- 428.97540 198.3
[M+CH3COO]- 442.99105 215.4
[M+Na-2H]- 404.95187 184.1
[M]+ 383.97665 207.0
[M]- 383.97775 207.0
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.