CID 2777943

3,4,5-trifluorophenol

Structural Information

Molecular Formula
C6H3F3O
SMILES
C1=C(C=C(C(=C1F)F)F)O
InChI
InChI=1S/C6H3F3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H
InChIKey
ZRTWIJKGTUGZJY-UHFFFAOYSA-N
Compound name
3,4,5-trifluorophenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1774
Patents

148.0136 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.020876 119.8
[M+Na]+ 171.002818 131.0
[M-H]- 147.006324 119.4
[M+NH4]+ 166.047423 141.1
[M+K]+ 186.976758 128.2
[M+H-H2O]+ 131.010860 112.8
[M+HCOO]- 193.011801 140.9
[M+CH3COO]- 207.027451 173.3
[M+Na-2H]- 168.988266 125.4
[M]+ 148.01305142 115.8
[M]- 148.01414858 115.8
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