CID 2782597

72848-57-8

Structural Information

Molecular Formula
C6ClF11O2
SMILES
C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)Cl
InChI
InChI=1S/C6ClF11O2/c7-1(19)2(8,4(11,12)13)20-6(17,18)3(9,10)5(14,15)16
InChIKey
KLAVPNKIYBZAOK-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

27
Patents

347.94113 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.94841 153.1
[M+Na]+ 370.93035 163.7
[M-H]- 346.93385 141.4
[M+NH4]+ 365.97495 166.4
[M+K]+ 386.90429 160.0
[M+H-H2O]+ 330.93839 142.1
[M+HCOO]- 392.93933 153.3
[M+CH3COO]- 406.95498 207.8
[M+Na-2H]- 368.91580 157.3
[M]+ 347.94058 139.8
[M]- 347.94168 139.8
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