CID 70015

4-(trifluoromethoxy)phenol

Structural Information

Molecular Formula
C7H5F3O2
SMILES
C1=CC(=CC=C1O)OC(F)(F)F
InChI
InChI=1S/C7H5F3O2/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H
InChIKey
WDRJNKMAZMEYOF-UHFFFAOYSA-N
Compound name
4-(trifluoromethoxy)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

3750
Patents

178.02417 Da
Monoisotopic Mass

2.6
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

literature stripe

Patent stripe

patents stripe