CID 19690811

3-(2,2,2-trifluoroethoxy)phenol

Structural Information

Molecular Formula
C8H7F3O2
SMILES
C1=CC(=CC(=C1)OCC(F)(F)F)O
InChI
InChI=1S/C8H7F3O2/c9-8(10,11)5-13-7-3-1-2-6(12)4-7/h1-4,12H,5H2
InChIKey
PZZNHAZMDITYQC-UHFFFAOYSA-N
Compound name
3-(2,2,2-trifluoroethoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

192.03981 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04709 134.1
[M+Na]+ 215.02903 143.1
[M-H]- 191.03253 132.9
[M+NH4]+ 210.07363 153.2
[M+K]+ 231.00297 140.7
[M+H-H2O]+ 175.03707 126.6
[M+HCOO]- 237.03801 153.2
[M+CH3COO]- 251.05366 178.8
[M+Na-2H]- 213.01448 140.6
[M]+ 192.03926 130.9
[M]- 192.04036 130.9
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