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]+ 234.99285 144.3
[M+Na]+ 256.97479 155.5
[M-H]- 232.97829 148.0
[M+NH4]+ 252.01939 165.7
[M+K]+ 272.94873 144.1
[M+H-H2O]+ 216.98283 143.4
[M+HCOO]- 278.98377 162.8
[M+CH3COO]- 292.99942 187.6
[M+Na-2H]- 254.96024 152.4
[M]+ 233.98502 160.1
[M]- 233.98612 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