CID 72218466

1-bromo-3-(2,2-difluorocyclopropyl)benzene

Structural Information

Molecular Formula
C9H7BrF2
SMILES
C1C(C1(F)F)C2=CC(=CC=C2)Br
InChI
InChI=1S/C9H7BrF2/c10-7-3-1-2-6(4-7)8-5-9(8,11)12/h1-4,8H,5H2
InChIKey
CTRHNTQRQHKOLH-UHFFFAOYSA-N
Compound name
1-bromo-3-(2,2-difluorocyclopropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

231.96992 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.977196 137.3
[M+Na]+ 254.959138 152.1
[M-H]- 230.962644 145.7
[M+NH4]+ 250.003743 156.5
[M+K]+ 270.933078 141.1
[M+H-H2O]+ 214.967180 136.5
[M+HCOO]- 276.968121 157.8
[M+CH3COO]- 290.983771 190.4
[M+Na-2H]- 252.944586 145.4
[M]+ 231.96937142 155.2
[M]- 231.97046858 155.2
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