CID 14238363

121103-97-7

Structural Information

Molecular Formula
C9H6F7NO
SMILES
CC(=O)C1=CNC=C1C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H6F7NO/c1-4(18)5-2-17-3-6(5)7(10,11)8(12,13)9(14,15)16/h2-3,17H,1H3
InChIKey
BWOZUJHCNZSSLZ-UHFFFAOYSA-N
Compound name
1-[4-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.03375 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.04103 176.7
[M+Na]+ 300.02297 178.8
[M+NH4]+ 295.06757 177.0
[M+K]+ 315.99691 177.1
[M-H]- 276.02647 167.9
[M+Na-2H]- 298.00842 174.6
[M]+ 277.03320 174.0
[M]- 277.03430 174.0
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

No patent data available for this compound.