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 161.0
[M+Na]+ 296.05795 167.0
[M-H]- 272.06145 164.5
[M+NH4]+ 291.10255 178.6
[M+K]+ 312.03189 162.6
[M+H-H2O]+ 256.06599 155.7
[M+HCOO]- 318.06693 174.6
[M+CH3COO]- 332.08258 202.7
[M+Na-2H]- 294.04340 162.9
[M]+ 273.06818 165.7
[M]- 273.06928 165.7
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.