CID 67369720

2-(4-chloro-2-fluorophenyl)ethanol

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

33
Patents

174.02477 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.032046 129.9
[M+Na]+ 197.013988 140.0
[M-H]- 173.017494 131.3
[M+NH4]+ 192.058593 150.9
[M+K]+ 212.987928 135.6
[M+H-H2O]+ 157.022030 125.1
[M+HCOO]- 219.022971 147.9
[M+CH3COO]- 233.038621 176.5
[M+Na-2H]- 194.999436 135.9
[M]+ 174.02422142 130.6
[M]- 174.02531858 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