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]+ 230.981536 137.8
[M+Na]+ 252.963478 152.2
[M-H]- 228.966984 146.2
[M+NH4]+ 248.008083 156.5
[M+K]+ 268.937418 140.9
[M+H-H2O]+ 212.971520 138.1
[M+HCOO]- 274.972461 158.0
[M+CH3COO]- 288.988111 187.3
[M+Na-2H]- 250.948926 146.1
[M]+ 229.97371142 156.5
[M]- 229.97480858 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.