CID 13548211

Propanoyl fluoride, 3-chloro-2,3,3-trifluoro-2-(1,1,2,2-tetrafluoro-2-(fluorosulfonyl)ethoxy)-

Structural Information

Molecular Formula
C5ClF9O4S
SMILES
C(=O)(C(C(F)(F)Cl)(OC(C(F)(F)S(=O)(=O)F)(F)F)F)F
InChI
InChI=1S/C5ClF9O4S/c6-3(9,10)2(8,1(7)16)19-4(11,12)5(13,14)20(15,17)18
InChIKey
MULWMWPAUVOGLW-UHFFFAOYSA-N
Compound name
3-chloro-2,3,3-trifluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

361.90622 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.91350 151.3
[M+Na]+ 384.89544 161.1
[M-H]- 360.89894 141.6
[M+NH4]+ 379.94004 164.2
[M+K]+ 400.86938 157.6
[M+H-H2O]+ 344.90348 141.3
[M+HCOO]- 406.90442 149.7
[M+CH3COO]- 420.92007 205.8
[M+Na-2H]- 382.88089 155.5
[M]+ 361.90567 144.3
[M]- 361.90677 144.3
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