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

17
Patents

310.88065 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.88793 146.3
[M+Na]+ 333.86987 151.3
[M-H]- 309.87337 145.7
[M+NH4]+ 328.91447 163.8
[M+K]+ 349.84381 145.7
[M+H-H2O]+ 293.87791 142.5
[M+HCOO]- 355.87885 163.9
[M+CH3COO]- 369.89450 193.0
[M+Na-2H]- 331.85532 141.9
[M]+ 310.88010 159.6
[M]- 310.88120 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