CID 24847320

102433-89-6

Structural Information

Molecular Formula
C12H17Cl2NO2
SMILES
CC[N+](CCCl)(CC(OC1=CC=CC=C1)Cl)[O-]
InChI
InChI=1S/C12H17Cl2NO2/c1-2-15(16,9-8-13)10-12(14)17-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKey
WUGAMVDMMJWRNS-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-chloroethyl)-N-ethyl-2-phenoxyethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.06363 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.07091 161.9
[M+Na]+ 300.05285 167.5
[M-H]- 276.05635 163.7
[M+NH4]+ 295.09745 178.5
[M+K]+ 316.02679 158.8
[M+H-H2O]+ 260.06089 162.0
[M+HCOO]- 322.06183 174.9
[M+CH3COO]- 336.07748 191.8
[M+Na-2H]- 298.03830 168.3
[M]+ 277.06308 164.7
[M]- 277.06418 164.7
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.