CID 55284

84608-40-2

Structural Information

Molecular Formula
C13H19Cl2NO
SMILES
CCCOC1=CC=C(C=C1)N(CCCl)CCCl
InChI
InChI=1S/C13H19Cl2NO/c1-2-11-17-13-5-3-12(4-6-13)16(9-7-14)10-8-15/h3-6H,2,7-11H2,1H3
InChIKey
KDZCQFDXYGIYSZ-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4-propoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.08438 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.09166 160.8
[M+Na]+ 298.07360 174.1
[M+NH4]+ 293.11820 169.7
[M+K]+ 314.04754 165.1
[M-H]- 274.07710 163.9
[M+Na-2H]- 296.05905 167.7
[M]+ 275.08383 164.2
[M]- 275.08493 164.2
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.