CID 61384892

1-bromo-6-fluoro-2,3-dihydro-1h-indene

Structural Information

Molecular Formula
C9H8BrF
SMILES
C1CC2=C(C1Br)C=C(C=C2)F
InChI
InChI=1S/C9H8BrF/c10-9-4-2-6-1-3-7(11)5-8(6)9/h1,3,5,9H,2,4H2
InChIKey
FXUWRVDNJUZFRM-UHFFFAOYSA-N
Compound name
1-bromo-6-fluoro-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

213.97934 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.986616 140.6
[M+Na]+ 236.968558 153.6
[M-H]- 212.972064 146.9
[M+NH4]+ 232.013163 166.0
[M+K]+ 252.942498 142.3
[M+H-H2O]+ 196.976600 141.1
[M+HCOO]- 258.977541 161.0
[M+CH3COO]- 272.993191 156.5
[M+Na-2H]- 234.954006 147.1
[M]+ 213.97879142 156.9
[M]- 213.97988858 156.9
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