CID 67369720

667461-51-0

Structural Information

Molecular Formula
C8H8ClFO
SMILES
C1=CC(=C(C=C1Cl)F)CCO
InChI
InChI=1S/C8H8ClFO/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5,11H,3-4H2
InChIKey
YQDFGTHQEZIQHI-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-fluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

174.02477 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.03205 129.9
[M+Na]+ 197.01399 140.0
[M-H]- 173.01749 131.3
[M+NH4]+ 192.05859 150.9
[M+K]+ 212.98793 135.6
[M+H-H2O]+ 157.02203 125.1
[M+HCOO]- 219.02297 147.9
[M+CH3COO]- 233.03862 176.5
[M+Na-2H]- 194.99944 135.9
[M]+ 174.02422 130.6
[M]- 174.02532 130.6
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

patents stripe