CID 3326302

2,2,3,3,4,4,5,5,5-nonafluoro-n-(2-hydroxyethyl)pentanamide

Structural Information

Molecular Formula
C7H6F9NO2
SMILES
C(CO)NC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H6F9NO2/c8-4(9,3(19)17-1-2-18)5(10,11)6(12,13)7(14,15)16/h18H,1-2H2,(H,17,19)
InChIKey
KXCGGDSYTXMIML-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-hydroxyethyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

307.02548 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.03276 154.2
[M+Na]+ 330.01470 161.8
[M-H]- 306.01820 142.3
[M+NH4]+ 325.05930 167.4
[M+K]+ 345.98864 159.3
[M+H-H2O]+ 290.02274 143.2
[M+HCOO]- 352.02368 161.0
[M+CH3COO]- 366.03933 202.7
[M+Na-2H]- 328.00015 157.6
[M]+ 307.02493 139.9
[M]- 307.02603 139.9
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

No patent data available for this compound.