CID 178199979

2-(3-bromo-5-fluorophenyl)-2-fluoroethan-1-ol

Structural Information

Molecular Formula
C8H7BrF2O
SMILES
C1=C(C=C(C=C1F)Br)C(CO)F
InChI
InChI=1S/C8H7BrF2O/c9-6-1-5(8(11)4-12)2-7(10)3-6/h1-3,8,12H,4H2
InChIKey
PNULVXIXEBRGJG-UHFFFAOYSA-N
Compound name
2-(3-bromo-5-fluorophenyl)-2-fluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.96483 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.972106 141.7
[M+Na]+ 258.954048 153.7
[M-H]- 234.957554 144.6
[M+NH4]+ 253.998653 162.6
[M+K]+ 274.927988 142.1
[M+H-H2O]+ 218.962090 140.7
[M+HCOO]- 280.963031 159.7
[M+CH3COO]- 294.978681 186.6
[M+Na-2H]- 256.939496 146.8
[M]+ 235.96428142 157.2
[M]- 235.96537858 157.2
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.