CID 13169152

4-bromo-n,n-dibutylaniline

Structural Information

Molecular Formula
C14H22BrN
SMILES
CCCCN(CCCC)C1=CC=C(C=C1)Br
InChI
InChI=1S/C14H22BrN/c1-3-5-11-16(12-6-4-2)14-9-7-13(15)8-10-14/h7-10H,3-6,11-12H2,1-2H3
InChIKey
UUZAXCYJSHWGLA-UHFFFAOYSA-N
Compound name
4-bromo-N,N-dibutylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

283.09357 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.10085 162.0
[M+Na]+ 306.08279 170.7
[M-H]- 282.08629 168.6
[M+NH4]+ 301.12739 182.0
[M+K]+ 322.05673 159.5
[M+H-H2O]+ 266.09083 160.5
[M+HCOO]- 328.09177 183.6
[M+CH3COO]- 342.10742 204.9
[M+Na-2H]- 304.06824 167.0
[M]+ 283.09302 182.8
[M]- 283.09412 182.8
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.