CID 2776639

4-(1,1,2,2-tetrafluoroethoxy)benzoic acid

Structural Information

Molecular Formula
C9H6F4O3
SMILES
C1=CC(=CC=C1C(=O)O)OC(C(F)F)(F)F
InChI
InChI=1S/C9H6F4O3/c10-8(11)9(12,13)16-6-3-1-5(2-4-6)7(14)15/h1-4,8H,(H,14,15)
InChIKey
SVGWTILJZWYEMD-UHFFFAOYSA-N
Compound name
4-(1,1,2,2-tetrafluoroethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

238.0253 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.03258 154.6
[M+Na]+ 261.01452 161.1
[M+NH4]+ 256.05912 157.9
[M+K]+ 276.98846 157.9
[M-H]- 237.01802 148.7
[M+Na-2H]- 258.99997 156.2
[M]+ 238.02475 153.4
[M]- 238.02585 153.4
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