CID 4362103

2,2,3,3,4,4,4-heptafluoro-1-(piperidin-1-yl)butan-1-one

Structural Information

Molecular Formula
C9H10F7NO
SMILES
C1CCN(CC1)C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H10F7NO/c10-7(11,8(12,13)9(14,15)16)6(18)17-4-2-1-3-5-17/h1-5H2
InChIKey
IWRCISRUSCEZDU-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-1-piperidin-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

281.06506 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.07234 155.0
[M+Na]+ 304.05428 161.1
[M-H]- 280.05778 147.5
[M+NH4]+ 299.09888 168.8
[M+K]+ 320.02822 158.5
[M+H-H2O]+ 264.06232 143.6
[M+HCOO]- 326.06326 161.1
[M+CH3COO]- 340.07891 197.0
[M+Na-2H]- 302.03973 157.3
[M]+ 281.06451 140.6
[M]- 281.06561 140.6
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