CID 4218327

N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide

Structural Information

Molecular Formula
C6H6F7NO
SMILES
CCNC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H6F7NO/c1-2-14-3(15)4(7,8)5(9,10)6(11,12)13/h2H2,1H3,(H,14,15)
InChIKey
PNDQTLWFMTZBFC-UHFFFAOYSA-N
Compound name
N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

241.03377 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.04105 141.7
[M+Na]+ 264.02299 149.8
[M-H]- 240.02649 133.5
[M+NH4]+ 259.06759 158.5
[M+K]+ 279.99693 148.1
[M+H-H2O]+ 224.03103 132.0
[M+HCOO]- 286.03197 153.7
[M+CH3COO]- 300.04762 193.8
[M+Na-2H]- 262.00844 145.9
[M]+ 241.03322 131.0
[M]- 241.03432 131.0
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