CID 288342

4-bromo-2,3,5,6-tetrachloroaniline

Structural Information

Molecular Formula
C6H2BrCl4N
SMILES
C1(=C(C(=C(C(=C1Cl)Cl)Br)Cl)Cl)N
InChI
InChI=1S/C6H2BrCl4N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2
InChIKey
CXRJCIAJSARIBR-UHFFFAOYSA-N
Compound name
4-bromo-2,3,5,6-tetrachloroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

306.81247 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.819746 145.9
[M+Na]+ 329.801688 161.7
[M-H]- 305.805194 149.3
[M+NH4]+ 324.846293 165.6
[M+K]+ 345.775628 146.6
[M+H-H2O]+ 289.809730 149.1
[M+HCOO]- 351.810671 149.1
[M+CH3COO]- 365.826321 201.3
[M+Na-2H]- 327.787136 149.1
[M]+ 306.81192142 163.5
[M]- 306.81301858 163.5
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