CID 130163047

5-bromo-2-iodo-n-methylaniline

Structural Information

Molecular Formula
C7H7BrIN
SMILES
CNC1=C(C=CC(=C1)Br)I
InChI
InChI=1S/C7H7BrIN/c1-10-7-4-5(8)2-3-6(7)9/h2-4,10H,1H3
InChIKey
YZHISWFETIQQNM-UHFFFAOYSA-N
Compound name
5-bromo-2-iodo-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

310.88065 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.887926 144.3
[M+Na]+ 333.869868 149.3
[M-H]- 309.873374 144.2
[M+NH4]+ 328.914473 162.1
[M+K]+ 349.843808 144.2
[M+H-H2O]+ 293.877910 140.6
[M+HCOO]- 355.878851 162.5
[M+CH3COO]- 369.894501 193.6
[M+Na-2H]- 331.855316 141.0
[M]+ 310.88010142 158.5
[M]- 310.88119858 158.5
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