CID 61097128

1-(1-bromo-2-methylpropyl)-2,4-difluorobenzene

Structural Information

Molecular Formula
C10H11BrF2
SMILES
CC(C)C(C1=C(C=C(C=C1)F)F)Br
InChI
InChI=1S/C10H11BrF2/c1-6(2)10(11)8-4-3-7(12)5-9(8)13/h3-6,10H,1-2H3
InChIKey
HNQVCWOSEGJYSC-UHFFFAOYSA-N
Compound name
1-(1-bromo-2-methylpropyl)-2,4-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.00122 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.00850 147.5
[M+Na]+ 270.99044 159.0
[M-H]- 246.99394 151.5
[M+NH4]+ 266.03504 168.7
[M+K]+ 286.96438 147.8
[M+H-H2O]+ 230.99848 146.2
[M+HCOO]- 292.99942 165.2
[M+CH3COO]- 307.01507 193.7
[M+Na-2H]- 268.97589 150.9
[M]+ 248.00067 163.5
[M]- 248.00177 163.5
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.