CID 611452

4-bromo-2,6-diethylaniline

Structural Information

Molecular Formula
C10H14BrN
SMILES
CCC1=CC(=CC(=C1N)CC)Br
InChI
InChI=1S/C10H14BrN/c1-3-7-5-9(11)6-8(4-2)10(7)12/h5-6H,3-4,12H2,1-2H3
InChIKey
BEJYDMQQZUACPW-UHFFFAOYSA-N
Compound name
4-bromo-2,6-diethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

255
Patents

227.03096 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.038236 143.3
[M+Na]+ 250.020178 155.2
[M-H]- 226.023684 149.5
[M+NH4]+ 245.064783 165.2
[M+K]+ 265.994118 143.3
[M+H-H2O]+ 210.028220 143.1
[M+HCOO]- 272.029161 165.1
[M+CH3COO]- 286.044811 191.9
[M+Na-2H]- 248.005626 148.9
[M]+ 227.03041142 161.3
[M]- 227.03150858 161.3
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