CID 2778523

2-(2h-perfluoroethoxy)benzoic acid

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

68
Patents

238.0253 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.03258 142.7
[M+Na]+ 261.01452 150.9
[M-H]- 237.01802 140.0
[M+NH4]+ 256.05912 159.3
[M+K]+ 276.98846 148.7
[M+H-H2O]+ 221.02256 134.0
[M+HCOO]- 283.02350 158.8
[M+CH3COO]- 297.03915 188.2
[M+Na-2H]- 258.99997 145.7
[M]+ 238.02475 138.1
[M]- 238.02585 138.1
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