CID 45790625

1171916-82-7

Structural Information

Molecular Formula
C9H7BrF2
SMILES
C1CC(C2=C1C=C(C=C2)Br)(F)F
InChI
InChI=1S/C9H7BrF2/c10-7-1-2-8-6(5-7)3-4-9(8,11)12/h1-2,5H,3-4H2
InChIKey
WXLDNJUQEYUTPC-UHFFFAOYSA-N
Compound name
6-bromo-3,3-difluoro-1,2-dihydroindene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

231.96992 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.977196 142.9
[M+Na]+ 254.959138 156.8
[M-H]- 230.962644 148.3
[M+NH4]+ 250.003743 169.5
[M+K]+ 270.933078 145.2
[M+H-H2O]+ 214.967180 143.2
[M+HCOO]- 276.968121 162.4
[M+CH3COO]- 290.983771 158.6
[M+Na-2H]- 252.944586 149.8
[M]+ 231.96937142 158.6
[M]- 231.97046858 158.6
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

patents stripe