CID 59436652

2-bromo-5-tert-butyl-1,3-difluorobenzene

Structural Information

Molecular Formula
C10H11BrF2
SMILES
CC(C)(C)C1=CC(=C(C(=C1)F)Br)F
InChI
InChI=1S/C10H11BrF2/c1-10(2,3)6-4-7(12)9(11)8(13)5-6/h4-5H,1-3H3
InChIKey
ZBXUHDFWSOVTKA-UHFFFAOYSA-N
Compound name
2-bromo-5-tert-butyl-1,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

248.00122 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.008496 146.6
[M+Na]+ 270.990438 160.1
[M-H]- 246.993944 151.3
[M+NH4]+ 266.035043 168.5
[M+K]+ 286.964378 148.4
[M+H-H2O]+ 230.998480 146.0
[M+HCOO]- 292.999421 164.8
[M+CH3COO]- 307.015071 192.9
[M+Na-2H]- 268.975886 152.4
[M]+ 248.00067142 163.6
[M]- 248.00176858 163.6
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