CID 72218467

1-bromo-4-(2,2-difluorocyclopropyl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
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

literature stripe

Patent stripe

patents stripe