CID 12081997

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

Structural Information

Molecular Formula
C6H2BrCl4N
SMILES
C1(=C(C(=C(C(=C1Br)Cl)Cl)Cl)Cl)N
InChI
InChI=1S/C6H2BrCl4N/c7-1-2(8)3(9)4(10)5(11)6(1)12/h12H2
InChIKey
XWTIDCWHTXYDLM-UHFFFAOYSA-N
Compound name
2-bromo-3,4,5,6-tetrachloroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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

No patent data available for this compound.