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

18
Patents

262.89453 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.90181 142.9
[M+Na]+ 285.88375 138.4
[M+NH4]+ 280.92835 145.5
[M+K]+ 301.85769 144.3
[M-H]- 261.88725 144.4
[M+Na-2H]- 283.86920 145.2
[M]+ 262.89398 141.6
[M]- 262.89508 141.6
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