CID 11465

4-bromo-n,n-dimethylaniline

Structural Information

Molecular Formula
C8H10BrN
SMILES
CN(C)C1=CC=C(C=C1)Br
InChI
InChI=1S/C8H10BrN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKey
XYZWMVYYUIMRIZ-UHFFFAOYSA-N
Compound name
4-bromo-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

5533
Patents

198.99966 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.00694 132.4
[M+Na]+ 221.98888 136.4
[M+NH4]+ 217.03348 138.6
[M+K]+ 237.96282 135.9
[M-H]- 197.99238 134.7
[M+Na-2H]- 219.97433 137.8
[M]+ 198.99911 132.5
[M]- 199.00021 132.5
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