CID 97020

55502-53-9

Structural Information

Molecular Formula
C8H2ClF5O2
SMILES
C(C(=O)Cl)OC1=C(C(=C(C(=C1F)F)F)F)F
InChI
InChI=1S/C8H2ClF5O2/c9-2(15)1-16-8-6(13)4(11)3(10)5(12)7(8)14/h1H2
InChIKey
WQLJMPAQIWVNGS-UHFFFAOYSA-N
Compound name
2-(2,3,4,5,6-pentafluorophenoxy)acetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

259.96634 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.97362 138.4
[M+Na]+ 282.95556 151.8
[M-H]- 258.95906 136.9
[M+NH4]+ 278.00016 156.9
[M+K]+ 298.92950 147.0
[M+H-H2O]+ 242.96360 130.1
[M+HCOO]- 304.96454 153.1
[M+CH3COO]- 318.98019 196.0
[M+Na-2H]- 280.94101 139.4
[M]+ 259.96579 137.6
[M]- 259.96689 137.6
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