CID 67722

Pentafluoropropionamide

Structural Information

Molecular Formula
C3H2F5NO
SMILES
C(=O)(C(C(F)(F)F)(F)F)N
InChI
InChI=1S/C3H2F5NO/c4-2(5,1(9)10)3(6,7)8/h(H2,9,10)
InChIKey
KQTOYEUYHXUEDB-UHFFFAOYSA-N
Compound name
2,2,3,3,3-pentafluoropropanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

449
Patents

163.00566 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.01294 122.9
[M+Na]+ 185.99488 131.6
[M-H]- 161.99838 116.9
[M+NH4]+ 181.03948 142.7
[M+K]+ 201.96882 130.7
[M+H-H2O]+ 146.00292 115.0
[M+HCOO]- 208.00386 139.0
[M+CH3COO]- 222.01951 178.3
[M+Na-2H]- 183.98033 127.9
[M]+ 163.00511 113.6
[M]- 163.00621 113.6
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