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]+ 249.00850 149.4
[M+Na]+ 270.99044 159.2
[M-H]- 246.99394 152.7
[M+NH4]+ 266.03504 170.0
[M+K]+ 286.96438 148.0
[M+H-H2O]+ 230.99848 147.8
[M+HCOO]- 292.99942 167.1
[M+CH3COO]- 307.01507 191.6
[M+Na-2H]- 268.97589 154.0
[M]+ 248.00067 164.7
[M]- 248.00177 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.