CID 84724417

1-(2-bromophenyl)-2-fluoroethan-1-ol

Structural Information

Molecular Formula
C8H8BrFO
SMILES
C1=CC=C(C(=C1)C(CF)O)Br
InChI
InChI=1S/C8H8BrFO/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4,8,11H,5H2
InChIKey
WKJPNAHOHFDAAD-UHFFFAOYSA-N
Compound name
1-(2-bromophenyl)-2-fluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.97426 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.981536 138.5
[M+Na]+ 240.963478 149.7
[M-H]- 216.966984 142.4
[M+NH4]+ 236.008083 160.0
[M+K]+ 256.937418 138.5
[M+H-H2O]+ 200.971520 138.3
[M+HCOO]- 262.972461 157.6
[M+CH3COO]- 276.988111 182.9
[M+Na-2H]- 238.948926 145.0
[M]+ 217.97371142 154.8
[M]- 217.97480858 154.8
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.