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

10
Patents

248.00122 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.00850 146.6
[M+Na]+ 270.99044 160.1
[M-H]- 246.99394 151.3
[M+NH4]+ 266.03504 168.5
[M+K]+ 286.96438 148.4
[M+H-H2O]+ 230.99848 146.0
[M+HCOO]- 292.99942 164.8
[M+CH3COO]- 307.01507 192.9
[M+Na-2H]- 268.97589 152.4
[M]+ 248.00067 163.6
[M]- 248.00177 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