CID 614724

2,2,3,3,4,4,4-heptafluoro-n-pentylbutanamide

Structural Information

Molecular Formula
C9H12F7NO
SMILES
CCCCCNC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H12F7NO/c1-2-3-4-5-17-6(18)7(10,11)8(12,13)9(14,15)16/h2-5H2,1H3,(H,17,18)
InChIKey
RXZZJNFYVKKCJW-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-pentylbutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

283.08072 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.08800 155.9
[M+Na]+ 306.06994 162.8
[M-H]- 282.07344 147.1
[M+NH4]+ 301.11454 171.1
[M+K]+ 322.04388 160.4
[M+H-H2O]+ 266.07798 145.6
[M+HCOO]- 328.07892 166.9
[M+CH3COO]- 342.09457 202.7
[M+Na-2H]- 304.05539 158.6
[M]+ 283.08017 146.4
[M]- 283.08127 146.4
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

No patent data available for this compound.