CID 7015779

3,5-dibromo-4-methylaniline

Structural Information

Molecular Formula
C7H7Br2N
SMILES
CC1=C(C=C(C=C1Br)N)Br
InChI
InChI=1S/C7H7Br2N/c1-4-6(8)2-5(10)3-7(4)9/h2-3H,10H2,1H3
InChIKey
AQZDIKCNODUMNY-UHFFFAOYSA-N
Compound name
3,5-dibromo-4-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

262.89453 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.901806 134.5
[M+Na]+ 285.883748 146.1
[M-H]- 261.887254 141.3
[M+NH4]+ 280.928353 154.6
[M+K]+ 301.857688 130.1
[M+H-H2O]+ 245.891790 142.0
[M+HCOO]- 307.892731 151.6
[M+CH3COO]- 321.908381 201.1
[M+Na-2H]- 283.869196 141.3
[M]+ 262.89398142 166.9
[M]- 262.89507858 166.9
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