CID 53401484

2680537-44-2

Structural Information

Molecular Formula
C7H7BrIN
SMILES
C1=CC(=C(C=C1Br)CN)I
InChI
InChI=1S/C7H7BrIN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2
InChIKey
TUWVJRJRUGHRGC-UHFFFAOYSA-N
Compound name
(5-bromo-2-iodophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

310.88065 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.887926 146.3
[M+Na]+ 333.869868 151.3
[M-H]- 309.873374 145.7
[M+NH4]+ 328.914473 163.8
[M+K]+ 349.843808 145.7
[M+H-H2O]+ 293.877910 142.5
[M+HCOO]- 355.878851 163.9
[M+CH3COO]- 369.894501 193.0
[M+Na-2H]- 331.855316 141.9
[M]+ 310.88010142 159.6
[M]- 310.88119858 159.6
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