CID 11404163

2-bromo-6-iodo-4-methylaniline

Structural Information

Molecular Formula
C7H7BrIN
SMILES
CC1=CC(=C(C(=C1)I)N)Br
InChI
InChI=1S/C7H7BrIN/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H3
InChIKey
LUXPIKBGANLYBL-UHFFFAOYSA-N
Compound name
2-bromo-6-iodo-4-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

310.88065 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.887926 145.2
[M+Na]+ 333.869868 151.0
[M-H]- 309.873374 144.9
[M+NH4]+ 328.914473 162.9
[M+K]+ 349.843808 145.5
[M+H-H2O]+ 293.877910 141.5
[M+HCOO]- 355.878851 162.8
[M+CH3COO]- 369.894501 194.0
[M+Na-2H]- 331.855316 140.2
[M]+ 310.88010142 158.8
[M]- 310.88119858 158.8
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