CID 106701622

3-bromo-2-chloro-6-iodoaniline

Structural Information

Molecular Formula
C6H4BrClIN
SMILES
C1=CC(=C(C(=C1Br)Cl)N)I
InChI
InChI=1S/C6H4BrClIN/c7-3-1-2-4(9)6(10)5(3)8/h1-2H,10H2
InChIKey
CNEJZLKHHOWLBQ-UHFFFAOYSA-N
Compound name
3-bromo-2-chloro-6-iodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

330.82605 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.83333 144.2
[M+Na]+ 353.81527 151.4
[M-H]- 329.81877 144.0
[M+NH4]+ 348.85987 162.1
[M+K]+ 369.78921 144.1
[M+H-H2O]+ 313.82331 141.5
[M+HCOO]- 375.82425 158.0
[M+CH3COO]- 389.83990 194.7
[M+Na-2H]- 351.80072 139.6
[M]+ 330.82550 159.2
[M]- 330.82660 159.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe