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]+ 175.032046 130.4
[M+Na]+ 197.013988 139.4
[M-H]- 173.017494 131.6
[M+NH4]+ 192.058593 151.1
[M+K]+ 212.987928 135.4
[M+H-H2O]+ 157.022030 125.5
[M+HCOO]- 219.022971 147.5
[M+CH3COO]- 233.038621 176.2
[M+Na-2H]- 194.999436 135.9
[M]+ 174.02422142 130.2
[M]- 174.02531858 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.