CID 2733261

3-(trifluoromethoxy)phenol

Structural Information

Molecular Formula
C7H5F3O2
SMILES
C1=CC(=CC(=C1)OC(F)(F)F)O
InChI
InChI=1S/C7H5F3O2/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4,11H
InChIKey
UWLJERQTLRORJN-UHFFFAOYSA-N
Compound name
3-(trifluoromethoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1469
Patents

178.02417 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03145 129.4
[M+Na]+ 201.01339 138.8
[M-H]- 177.01689 128.4
[M+NH4]+ 196.05799 149.0
[M+K]+ 216.98733 136.6
[M+H-H2O]+ 161.02143 122.1
[M+HCOO]- 223.02237 148.8
[M+CH3COO]- 237.03802 175.8
[M+Na-2H]- 198.99884 136.4
[M]+ 178.02362 125.8
[M]- 178.02472 125.8
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