CID 23053415

4-bromo-n,2-diethylaniline

Structural Information

Molecular Formula
C10H14BrN
SMILES
CCC1=C(C=CC(=C1)Br)NCC
InChI
InChI=1S/C10H14BrN/c1-3-8-7-9(11)5-6-10(8)12-4-2/h5-7,12H,3-4H2,1-2H3
InChIKey
BDJLKPUFQWYGBC-UHFFFAOYSA-N
Compound name
4-bromo-N,2-diethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

227.03096 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.03824 142.8
[M+Na]+ 250.02018 153.8
[M-H]- 226.02368 149.2
[M+NH4]+ 245.06478 164.7
[M+K]+ 265.99412 142.3
[M+H-H2O]+ 210.02822 142.5
[M+HCOO]- 272.02916 165.3
[M+CH3COO]- 286.04481 191.4
[M+Na-2H]- 248.00563 150.2
[M]+ 227.03041 161.5
[M]- 227.03151 161.5
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