CID 3060571

78218-80-1

Structural Information

Molecular Formula
C10H22Cl3N2O3P
SMILES
CC(CCNP(=O)(N(CCCl)CCCl)OCCCl)O
InChI
InChI=1S/C10H22Cl3N2O3P/c1-10(16)2-6-14-19(17,18-9-5-13)15(7-3-11)8-4-12/h10,16H,2-9H2,1H3,(H,14,17)
InChIKey
CWWJWDWXNZVPEU-UHFFFAOYSA-N
Compound name
4-[[bis(2-chloroethyl)amino-(2-chloroethoxy)phosphoryl]amino]butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.04337 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.050646 176.4
[M+Na]+ 377.032588 181.5
[M-H]- 353.036094 174.1
[M+NH4]+ 372.077193 191.1
[M+K]+ 393.006528 177.1
[M+H-H2O]+ 337.040630 171.4
[M+HCOO]- 399.041571 188.9
[M+CH3COO]- 413.057221 215.7
[M+Na-2H]- 375.018036 175.4
[M]+ 354.04282142 183.9
[M]- 354.04391858 183.9
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.