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 162.1
[M+Na]+ 298.07360 169.2
[M-H]- 274.07710 165.6
[M+NH4]+ 293.11820 180.1
[M+K]+ 314.04754 164.4
[M+H-H2O]+ 258.08164 156.6
[M+HCOO]- 320.08258 177.3
[M+CH3COO]- 334.09823 203.0
[M+Na-2H]- 296.05905 165.6
[M]+ 275.08383 168.8
[M]- 275.08493 168.8
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.