CID 15064

N,n-bis(2-chloroethyl)-4-methoxyaniline

Structural Information

Molecular Formula
C11H15Cl2NO
SMILES
COC1=CC=C(C=C1)N(CCCl)CCCl
InChI
InChI=1S/C11H15Cl2NO/c1-15-11-4-2-10(3-5-11)14(8-6-12)9-7-13/h2-5H,6-9H2,1H3
InChIKey
XEXFMTLVGVELAA-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

78
Patents

247.05307 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.06035 151.7
[M+Na]+ 270.04229 165.4
[M+NH4]+ 265.08689 161.0
[M+K]+ 286.01623 156.9
[M-H]- 246.04579 154.9
[M+Na-2H]- 268.02774 159.2
[M]+ 247.05252 155.2
[M]- 247.05362 155.2
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

patents stripe