CID 81427

2,6-dibromo-4-methylaniline

Structural Information

Molecular Formula
C7H7Br2N
SMILES
CC1=CC(=C(C(=C1)Br)N)Br
InChI
InChI=1S/C7H7Br2N/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H3
InChIKey
ATDIROHVRVQMRO-UHFFFAOYSA-N
Compound name
2,6-dibromo-4-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

402
Patents

262.89453 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.90181 134.5
[M+Na]+ 285.88375 146.1
[M-H]- 261.88725 141.3
[M+NH4]+ 280.92835 154.6
[M+K]+ 301.85769 130.1
[M+H-H2O]+ 245.89179 142.0
[M+HCOO]- 307.89273 151.6
[M+CH3COO]- 321.90838 201.1
[M+Na-2H]- 283.86920 141.3
[M]+ 262.89398 166.9
[M]- 262.89508 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