CID 14501805

112108-68-6

Structural Information

Molecular Formula
C8H8ClFO
SMILES
CC(C1=C(C=C(C=C1)F)Cl)O
InChI
InChI=1S/C8H8ClFO/c1-5(11)7-3-2-6(10)4-8(7)9/h2-5,11H,1H3
InChIKey
UVTJHIWKGYOZFO-UHFFFAOYSA-N
Compound name
1-(2-chloro-4-fluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
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 129.7
[M+Na]+ 197.013988 139.6
[M-H]- 173.017494 131.3
[M+NH4]+ 192.058593 150.7
[M+K]+ 212.987928 135.6
[M+H-H2O]+ 157.022030 125.1
[M+HCOO]- 219.022971 146.8
[M+CH3COO]- 233.038621 177.4
[M+Na-2H]- 194.999436 134.5
[M]+ 174.02422142 129.9
[M]- 174.02531858 129.9
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