CID 62670552

1-(4-bromo-3-fluorophenyl)cyclopropan-1-ol

Structural Information

Molecular Formula
C9H8BrFO
SMILES
C1CC1(C2=CC(=C(C=C2)Br)F)O
InChI
InChI=1S/C9H8BrFO/c10-7-2-1-6(5-8(7)11)9(12)3-4-9/h1-2,5,12H,3-4H2
InChIKey
RWANOCLSGHFUPV-UHFFFAOYSA-N
Compound name
1-(4-bromo-3-fluorophenyl)cyclopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.97426 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.98154 137.8
[M+Na]+ 252.96348 152.2
[M-H]- 228.96698 146.2
[M+NH4]+ 248.00808 156.5
[M+K]+ 268.93742 140.9
[M+H-H2O]+ 212.97152 138.1
[M+HCOO]- 274.97246 158.0
[M+CH3COO]- 288.98811 187.3
[M+Na-2H]- 250.94893 146.1
[M]+ 229.97371 156.5
[M]- 229.97481 156.5
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.