CID 86812277

176442-80-1

Structural Information

Molecular Formula
C9H8BrF
SMILES
C1[C@H]([C@@H]1Br)C2=CC(=CC=C2)F
InChI
InChI=1S/C9H8BrF/c10-9-5-8(9)6-2-1-3-7(11)4-6/h1-4,8-9H,5H2/t8-,9+/m0/s1
InChIKey
VOOZPOZLXOGGPR-DTWKUNHWSA-N
Compound name
1-[(1S,2R)-2-bromocyclopropyl]-3-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.97934 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.98662 135.2
[M+Na]+ 236.96856 149.4
[M-H]- 212.97206 144.5
[M+NH4]+ 232.01316 153.4
[M+K]+ 252.94250 138.0
[M+H-H2O]+ 196.97660 134.3
[M+HCOO]- 258.97754 156.9
[M+CH3COO]- 272.99319 188.4
[M+Na-2H]- 234.95401 143.0
[M]+ 213.97879 153.6
[M]- 213.97989 153.6
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

No patent data available for this compound.