CID 2777944

2-(2,3,6-trifluorophenoxy)ethanol

Structural Information

Molecular Formula
C8H7F3O2
SMILES
C1=CC(=C(C(=C1F)OCCO)F)F
InChI
InChI=1S/C8H7F3O2/c9-5-1-2-6(10)8(7(5)11)13-4-3-12/h1-2,12H,3-4H2
InChIKey
KMYSVQOMALEHHV-UHFFFAOYSA-N
Compound name
2-(2,3,6-trifluorophenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

192.03981 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04709 132.6
[M+Na]+ 215.02903 142.9
[M-H]- 191.03253 131.8
[M+NH4]+ 210.07363 152.1
[M+K]+ 231.00297 140.1
[M+H-H2O]+ 175.03707 124.9
[M+HCOO]- 237.03801 153.2
[M+CH3COO]- 251.05366 181.4
[M+Na-2H]- 213.01448 137.0
[M]+ 192.03926 130.8
[M]- 192.04036 130.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe