CID 84717570

1-(3-chlorophenyl)-2-fluoroethan-1-ol

Structural Information

Molecular Formula
C8H8ClFO
SMILES
C1=CC(=CC(=C1)Cl)C(CF)O
InChI
InChI=1S/C8H8ClFO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8,11H,5H2
InChIKey
DGIJUQCBPARCHN-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-2-fluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.02477 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.03205 130.4
[M+Na]+ 197.01399 139.4
[M-H]- 173.01749 131.6
[M+NH4]+ 192.05859 151.1
[M+K]+ 212.98793 135.4
[M+H-H2O]+ 157.02203 125.5
[M+HCOO]- 219.02297 147.5
[M+CH3COO]- 233.03862 176.2
[M+Na-2H]- 194.99944 135.9
[M]+ 174.02422 130.2
[M]- 174.02532 130.2
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.