CID 3068104

Benzenamine, n,n-bis(2-chloroethyl)-4-(octyloxy)-

Structural Information

Molecular Formula
C18H29Cl2NO
SMILES
CCCCCCCCOC1=CC=C(C=C1)N(CCCl)CCCl
InChI
InChI=1S/C18H29Cl2NO/c1-2-3-4-5-6-7-16-22-18-10-8-17(9-11-18)21(14-12-19)15-13-20/h8-11H,2-7,12-16H2,1H3
InChIKey
VMMDKIGKOMDJTF-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4-octoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.16263 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.16991 183.3
[M+Na]+ 368.15185 195.6
[M+NH4]+ 363.19645 191.4
[M+K]+ 384.12579 185.4
[M-H]- 344.15535 186.2
[M+Na-2H]- 366.13730 188.9
[M]+ 345.16208 186.5
[M]- 345.16318 186.5
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.