CID 170916685

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

Structural Information

Molecular Formula
C8H7BrF2O
SMILES
CC(OC1=CC(=CC=C1)Br)(F)F
InChI
InChI=1S/C8H7BrF2O/c1-8(10,11)12-7-4-2-3-6(9)5-7/h2-5H,1H3
InChIKey
AFVIGSUZLYZKLI-UHFFFAOYSA-N
Compound name
1-bromo-3-(1,1-difluoroethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.96483 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.97211 147.0
[M+Na]+ 258.95405 149.4
[M+NH4]+ 253.99865 151.0
[M+K]+ 274.92799 149.1
[M-H]- 234.95755 144.9
[M+Na-2H]- 256.93950 149.7
[M]+ 235.96428 145.6
[M]- 235.96538 145.6
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.