CID 58306780

4-bromo-3-chloro-6-iodo-2-methylaniline

Structural Information

Molecular Formula
C7H6BrClIN
SMILES
CC1=C(C(=CC(=C1N)I)Br)Cl
InChI
InChI=1S/C7H6BrClIN/c1-3-6(9)4(8)2-5(10)7(3)11/h2H,11H2,1H3
InChIKey
MAQLFMRWDIWJBB-UHFFFAOYSA-N
Compound name
4-bromo-3-chloro-6-iodo-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

344.84167 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.848946 148.0
[M+Na]+ 367.830888 155.5
[M-H]- 343.834394 147.9
[M+NH4]+ 362.875493 165.6
[M+K]+ 383.804828 148.1
[M+H-H2O]+ 327.838930 145.3
[M+HCOO]- 389.839871 161.5
[M+CH3COO]- 403.855521 198.4
[M+Na-2H]- 365.816336 142.3
[M]+ 344.84112142 163.6
[M]- 344.84221858 163.6
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