CID 126560536

5-bromo-4-fluoro-2,3-dihydro-1h-indene

Structural Information

Molecular Formula
C9H8BrF
SMILES
C1CC2=C(C1)C(=C(C=C2)Br)F
InChI
InChI=1S/C9H8BrF/c10-8-5-4-6-2-1-3-7(6)9(8)11/h4-5H,1-3H2
InChIKey
JMXAUGGYHVFQBH-UHFFFAOYSA-N
Compound name
5-bromo-4-fluoro-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

213.97934 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.98662 140.6
[M+Na]+ 236.96856 153.6
[M-H]- 212.97206 146.9
[M+NH4]+ 232.01316 166.0
[M+K]+ 252.94250 142.3
[M+H-H2O]+ 196.97660 141.1
[M+HCOO]- 258.97754 161.0
[M+CH3COO]- 272.99319 156.5
[M+Na-2H]- 234.95401 147.1
[M]+ 213.97879 156.9
[M]- 213.97989 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