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

12
Patents

344.84167 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.84895 148.0
[M+Na]+ 367.83089 155.5
[M-H]- 343.83439 147.9
[M+NH4]+ 362.87549 165.6
[M+K]+ 383.80483 148.1
[M+H-H2O]+ 327.83893 145.3
[M+HCOO]- 389.83987 161.5
[M+CH3COO]- 403.85552 198.4
[M+Na-2H]- 365.81634 142.3
[M]+ 344.84112 163.6
[M]- 344.84222 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