CID 90764

Perfluoro(2-phenoxypropionyl fluoride)

Structural Information

Molecular Formula
C9F10O2
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)OC(C(=O)F)(C(F)(F)F)F
InChI
InChI=1S/C9F10O2/c10-1-2(11)4(13)6(5(14)3(1)12)21-8(16,7(15)20)9(17,18)19
InChIKey
YZGGYKGDCXXVHY-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoro-2-(2,3,4,5,6-pentafluorophenoxy)propanoyl fluoride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

16
Patents

329.97385 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.98113 156.1
[M+Na]+ 352.96307 169.2
[M-H]- 328.96657 148.8
[M+NH4]+ 348.00767 170.3
[M+K]+ 368.93701 165.0
[M+H-H2O]+ 312.97111 143.1
[M+HCOO]- 374.97205 166.0
[M+CH3COO]- 388.98770 210.1
[M+Na-2H]- 350.94852 155.2
[M]+ 329.97330 145.2
[M]- 329.97440 145.2
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