CID 22240121

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

Structural Information

Molecular Formula
C8H7BrF2
SMILES
CC(C1=CC(=CC=C1)Br)(F)F
InChI
InChI=1S/C8H7BrF2/c1-8(10,11)6-3-2-4-7(9)5-6/h2-5H,1H3
InChIKey
NCJAJYPBNUFMQK-UHFFFAOYSA-N
Compound name
1-bromo-3-(1,1-difluoroethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

219.96992 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.977196 138.8
[M+Na]+ 242.959138 151.3
[M-H]- 218.962644 143.0
[M+NH4]+ 238.003743 161.1
[M+K]+ 258.933078 140.1
[M+H-H2O]+ 202.967180 138.3
[M+HCOO]- 264.968121 157.6
[M+CH3COO]- 278.983771 185.8
[M+Na-2H]- 240.944586 146.9
[M]+ 219.96937142 154.5
[M]- 219.97046858 154.5
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

patents stripe