CID 138040229

(1-bromo-4,4-difluorobutan-2-yl)benzene

Structural Information

Molecular Formula
C10H11BrF2
SMILES
C1=CC=C(C=C1)C(CC(F)F)CBr
InChI
InChI=1S/C10H11BrF2/c11-7-9(6-10(12)13)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKey
WPINRYNHNWRLPG-UHFFFAOYSA-N
Compound name
(1-bromo-4,4-difluorobutan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.00122 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.008496 149.4
[M+Na]+ 270.990438 159.2
[M-H]- 246.993944 152.7
[M+NH4]+ 266.035043 170.0
[M+K]+ 286.964378 148.0
[M+H-H2O]+ 230.998480 147.8
[M+HCOO]- 292.999421 167.1
[M+CH3COO]- 307.015071 191.6
[M+Na-2H]- 268.975886 154.0
[M]+ 248.00067142 164.7
[M]- 248.00176858 164.7
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

No patent data available for this compound.