CID 13168002

2-bromo-4,5-dichloroaniline

Structural Information

Molecular Formula
C6H4BrCl2N
SMILES
C1=C(C(=CC(=C1Cl)Cl)Br)N
InChI
InChI=1S/C6H4BrCl2N/c7-3-1-4(8)5(9)2-6(3)10/h1-2H,10H2
InChIKey
MAMRRASCBCVQHO-UHFFFAOYSA-N
Compound name
2-bromo-4,5-dichloroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

238.89043 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.897706 135.6
[M+Na]+ 261.879648 150.6
[M-H]- 237.883154 141.5
[M+NH4]+ 256.924253 158.2
[M+K]+ 277.853588 136.1
[M+H-H2O]+ 221.887690 137.7
[M+HCOO]- 283.888631 149.5
[M+CH3COO]- 297.904281 188.6
[M+Na-2H]- 259.865096 142.4
[M]+ 238.88988142 154.8
[M]- 238.89097858 154.8
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