CID 24843857

102504-69-8

Structural Information

Molecular Formula
C13H16Cl3NO
SMILES
CC(C(=O)C1=CC=C(C=C1)Cl)N(CCCl)CCCl
InChI
InChI=1S/C13H16Cl3NO/c1-10(17(8-6-14)9-7-15)13(18)11-2-4-12(16)5-3-11/h2-5,10H,6-9H2,1H3
InChIKey
DFVZKXXRMRNGIZ-UHFFFAOYSA-N
Compound name
2-[bis(2-chloroethyl)amino]-1-(4-chlorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.02975 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.03703 166.9
[M+Na]+ 330.01897 179.6
[M+NH4]+ 325.06357 175.1
[M+K]+ 345.99291 171.6
[M-H]- 306.02247 168.9
[M+Na-2H]- 328.00442 172.6
[M]+ 307.02920 170.1
[M]- 307.03030 170.1
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.