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

8
Patents

310.88065 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.88793 144.3
[M+Na]+ 333.86987 149.3
[M-H]- 309.87337 144.2
[M+NH4]+ 328.91447 162.1
[M+K]+ 349.84381 144.2
[M+H-H2O]+ 293.87791 140.6
[M+HCOO]- 355.87885 162.5
[M+CH3COO]- 369.89450 193.6
[M+Na-2H]- 331.85532 141.0
[M]+ 310.88010 158.5
[M]- 310.88120 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