CID 21149942

2-(bis-(2-chloroethyl)amino)propiophenone hydrochloride

Structural Information

Molecular Formula
C13H17Cl2NO
SMILES
CC(C(=O)C1=CC=CC=C1)N(CCCl)CCCl
InChI
InChI=1S/C13H17Cl2NO/c1-11(16(9-7-14)10-8-15)13(17)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKey
XWAWAMINSOCAFT-UHFFFAOYSA-N
Compound name
2-[bis(2-chloroethyl)amino]-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.06873 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07601 160.6
[M+Na]+ 296.05795 172.9
[M+NH4]+ 291.10255 169.0
[M+K]+ 312.03189 165.2
[M-H]- 272.06145 163.0
[M+Na-2H]- 294.04340 166.9
[M]+ 273.06818 163.5
[M]- 273.06928 163.5
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.