CID 7093

N-(2-chloroethyl)-n-ethylaniline

Structural Information

Molecular Formula
C10H14ClN
SMILES
CCN(CCCl)C1=CC=CC=C1
InChI
InChI=1S/C10H14ClN/c1-2-12(9-8-11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey
DBDNQNARCHWMSP-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-ethylaniline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

334
Patents

183.08148 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.08876 138.7
[M+Na]+ 206.07070 152.2
[M+NH4]+ 201.11530 148.8
[M+K]+ 222.04464 143.9
[M-H]- 182.07420 142.7
[M+Na-2H]- 204.05615 147.3
[M]+ 183.08093 142.1
[M]- 183.08203 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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