CID 432488

P-n,n-bis(2-chloroethyl)aminophenol ethyl ether

Structural Information

Molecular Formula
C12H17Cl2NO
SMILES
CCOC1=CC=C(C=C1)N(CCCl)CCCl
InChI
InChI=1S/C12H17Cl2NO/c1-2-16-12-5-3-11(4-6-12)15(9-7-13)10-8-14/h3-6H,2,7-10H2,1H3
InChIKey
UDXWHNWEBOXZHB-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4-ethoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

261.06873 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.07601 157.4
[M+Na]+ 284.05795 164.9
[M-H]- 260.06145 161.1
[M+NH4]+ 279.10255 176.0
[M+K]+ 300.03189 160.5
[M+H-H2O]+ 244.06599 152.1
[M+HCOO]- 306.06693 173.0
[M+CH3COO]- 320.08258 200.1
[M+Na-2H]- 282.04340 161.4
[M]+ 261.06818 163.8
[M]- 261.06928 163.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.