CID 11461895

1-bromo-3-tert-butyl-5-iodobenzene

Structural Information

Molecular Formula
C10H12BrI
SMILES
CC(C)(C)C1=CC(=CC(=C1)I)Br
InChI
InChI=1S/C10H12BrI/c1-10(2,3)7-4-8(11)6-9(12)5-7/h4-6H,1-3H3
InChIKey
QOBRAZDMDGZKHL-UHFFFAOYSA-N
Compound name
1-bromo-3-tert-butyl-5-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

337.91672 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.92400 152.8
[M+Na]+ 360.90594 158.2
[M-H]- 336.90944 152.8
[M+NH4]+ 355.95054 170.3
[M+K]+ 376.87988 153.1
[M+H-H2O]+ 320.91398 150.0
[M+HCOO]- 382.91492 168.0
[M+CH3COO]- 396.93057 197.2
[M+Na-2H]- 358.89139 148.6
[M]+ 337.91617 168.3
[M]- 337.91727 168.3
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