CID 165898927

(4-bromo-1,1-difluorobutyl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.00122 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.00850 149.0
[M+Na]+ 270.99044 159.8
[M-H]- 246.99394 152.5
[M+NH4]+ 266.03504 169.9
[M+K]+ 286.96438 148.1
[M+H-H2O]+ 230.99848 147.9
[M+HCOO]- 292.99942 167.2
[M+CH3COO]- 307.01507 190.4
[M+Na-2H]- 268.97589 156.6
[M]+ 248.00067 165.1
[M]- 248.00177 165.1
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.