CID 2776810

2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenol

Structural Information

Molecular Formula
C7HF7O
SMILES
C1(=C(C(=C(C(=C1F)F)O)F)F)C(F)(F)F
InChI
InChI=1S/C7HF7O/c8-2-1(7(12,13)14)3(9)5(11)6(15)4(2)10/h15H
InChIKey
HZQGKHUTYHEFBT-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

416
Patents

233.99156 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.99884 135.9
[M+Na]+ 256.98078 149.1
[M-H]- 232.98428 131.0
[M+NH4]+ 252.02538 154.0
[M+K]+ 272.95472 144.8
[M+H-H2O]+ 216.98882 125.9
[M+HCOO]- 278.98976 150.6
[M+CH3COO]- 293.00541 190.4
[M+Na-2H]- 254.96623 137.7
[M]+ 233.99101 127.2
[M]- 233.99211 127.2
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