CID 2063303

2,2,3,3,4,4,5,5-octafluoropentanamide

Structural Information

Molecular Formula
C5H3F8NO
SMILES
C(C(C(C(C(=O)N)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C5H3F8NO/c6-1(7)3(8,9)5(12,13)4(10,11)2(14)15/h1H,(H2,14,15)
InChIKey
QNNUQHBPTQVSFD-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5-octafluoropentanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

16
Patents

245.00868 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.01596 139.0
[M+Na]+ 267.99790 147.2
[M-H]- 244.00140 129.2
[M+NH4]+ 263.04250 155.0
[M+K]+ 283.97184 145.5
[M+H-H2O]+ 228.00594 128.7
[M+HCOO]- 290.00688 148.7
[M+CH3COO]- 304.02253 195.3
[M+Na-2H]- 265.98335 141.0
[M]+ 245.00813 125.1
[M]- 245.00923 125.1
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