CID 11129197

2,4-dibromo-n-methylaniline

Structural Information

Molecular Formula
C7H7Br2N
SMILES
CNC1=C(C=C(C=C1)Br)Br
InChI
InChI=1S/C7H7Br2N/c1-10-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3
InChIKey
JZKJYNKHXCSGFX-UHFFFAOYSA-N
Compound name
2,4-dibromo-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

262.89453 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.901806 133.7
[M+Na]+ 285.883748 144.8
[M-H]- 261.887254 140.7
[M+NH4]+ 280.928353 153.9
[M+K]+ 301.857688 129.0
[M+H-H2O]+ 245.891790 141.3
[M+HCOO]- 307.892731 151.4
[M+CH3COO]- 321.908381 200.7
[M+Na-2H]- 283.869196 142.0
[M]+ 262.89398142 166.8
[M]- 262.89507858 166.8
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