CID 68049767

(3-bromo-1,1-difluoropropyl)benzene

Structural Information

Molecular Formula
C9H9BrF2
SMILES
C1=CC=C(C=C1)C(CCBr)(F)F
InChI
InChI=1S/C9H9BrF2/c10-7-6-9(11,12)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
KINDJUKKGFWBAQ-UHFFFAOYSA-N
Compound name
(3-bromo-1,1-difluoropropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

233.98557 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.992846 144.3
[M+Na]+ 256.974788 155.5
[M-H]- 232.978294 148.0
[M+NH4]+ 252.019393 165.7
[M+K]+ 272.948728 144.1
[M+H-H2O]+ 216.982830 143.4
[M+HCOO]- 278.983771 162.8
[M+CH3COO]- 292.999421 187.6
[M+Na-2H]- 254.960236 152.4
[M]+ 233.98502142 160.1
[M]- 233.98611858 160.1
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

patents stripe