CID 11806557

159276-58-1

Structural Information

Molecular Formula
C9H7BrF2
SMILES
C=C(CBr)C1=C(C=C(C=C1)F)F
InChI
InChI=1S/C9H7BrF2/c1-6(5-10)8-3-2-7(11)4-9(8)12/h2-4H,1,5H2
InChIKey
VEHMGPJUOWKYRJ-UHFFFAOYSA-N
Compound name
1-(3-bromoprop-1-en-2-yl)-2,4-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

231.96992 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.977196 140.6
[M+Na]+ 254.959138 153.1
[M-H]- 230.962644 144.8
[M+NH4]+ 250.003743 162.5
[M+K]+ 270.933078 141.2
[M+H-H2O]+ 214.967180 139.6
[M+HCOO]- 276.968121 159.8
[M+CH3COO]- 290.983771 189.2
[M+Na-2H]- 252.944586 145.9
[M]+ 231.96937142 156.3
[M]- 231.97046858 156.3
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