CID 84680

(pentafluorophenoxy)acetic acid

Structural Information

Molecular Formula
C8H3F5O3
SMILES
C(C(=O)O)OC1=C(C(=C(C(=C1F)F)F)F)F
InChI
InChI=1S/C8H3F5O3/c9-3-4(10)6(12)8(7(13)5(3)11)16-1-2(14)15/h1H2,(H,14,15)
InChIKey
SMXPFEBIAASLOR-UHFFFAOYSA-N
Compound name
2-(2,3,4,5,6-pentafluorophenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

212
Patents

242.00023 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.00751 138.7
[M+Na]+ 264.98945 150.8
[M-H]- 240.99295 135.9
[M+NH4]+ 260.03405 156.2
[M+K]+ 280.96339 147.6
[M+H-H2O]+ 224.99749 129.4
[M+HCOO]- 286.99843 156.4
[M+CH3COO]- 301.01408 191.8
[M+Na-2H]- 262.97490 139.3
[M]+ 241.99968 135.2
[M]- 242.00078 135.2
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