CID 123498

2-chloro-5-(trifluoromethyl)phenol

Structural Information

Molecular Formula
C7H4ClF3O
SMILES
C1=CC(=C(C=C1C(F)(F)F)O)Cl
InChI
InChI=1S/C7H4ClF3O/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3,12H
InChIKey
SUIZARUATMVYRT-UHFFFAOYSA-N
Compound name
2-chloro-5-(trifluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

388
Patents

195.99028 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.99756 130.2
[M+Na]+ 218.97950 141.4
[M-H]- 194.98300 129.5
[M+NH4]+ 214.02410 150.4
[M+K]+ 234.95344 136.7
[M+H-H2O]+ 178.98754 124.2
[M+HCOO]- 240.98848 144.9
[M+CH3COO]- 255.00413 178.8
[M+Na-2H]- 216.96495 136.2
[M]+ 195.98973 127.7
[M]- 195.99083 127.7
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