CID 3060566

78218-75-4

Structural Information

Molecular Formula
C10H23Cl3N3O2P
SMILES
CC(CCNP(=O)(NCCCl)N(CCCl)CCCl)O
InChI
InChI=1S/C10H23Cl3N3O2P/c1-10(17)2-6-14-19(18,15-7-3-11)16(8-4-12)9-5-13/h10,17H,2-9H2,1H3,(H2,14,15,18)
InChIKey
ADOOONURAWQLFR-UHFFFAOYSA-N
Compound name
4-[[bis(2-chloroethyl)amino-(2-chloroethylamino)phosphoryl]amino]butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.05936 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.06664 179.6
[M+Na]+ 376.04858 183.7
[M-H]- 352.05208 177.0
[M+NH4]+ 371.09318 193.8
[M+K]+ 392.02252 178.9
[M+H-H2O]+ 336.05662 174.2
[M+HCOO]- 398.05756 192.6
[M+CH3COO]- 412.07321 218.6
[M+Na-2H]- 374.03403 178.3
[M]+ 353.05881 184.8
[M]- 353.05991 184.8
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.