CID 215851

Brn 2986401

Structural Information

Molecular Formula
C12H15Cl2NO2
SMILES
C1=CC=C(C=C1)N(CCOC(=O)CCl)CCCl
InChI
InChI=1S/C12H15Cl2NO2/c13-6-7-15(8-9-17-12(16)10-14)11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKey
KNJBXNOCIUEZEW-UHFFFAOYSA-N
Compound name
2-[N-(2-chloroethyl)anilino]ethyl 2-chloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.04797 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.05525 159.4
[M+Na]+ 298.03719 166.0
[M-H]- 274.04069 163.0
[M+NH4]+ 293.08179 177.0
[M+K]+ 314.01113 162.0
[M+H-H2O]+ 258.04523 154.0
[M+HCOO]- 320.04617 174.5
[M+CH3COO]- 334.06182 200.2
[M+Na-2H]- 296.02264 163.0
[M]+ 275.04742 165.5
[M]- 275.04852 165.5
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.