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]+ 236.97211 141.7
[M+Na]+ 258.95405 153.7
[M-H]- 234.95755 144.6
[M+NH4]+ 253.99865 162.6
[M+K]+ 274.92799 142.1
[M+H-H2O]+ 218.96209 140.7
[M+HCOO]- 280.96303 159.7
[M+CH3COO]- 294.97868 186.6
[M+Na-2H]- 256.93950 146.8
[M]+ 235.96428 157.2
[M]- 235.96538 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.