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
2
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 149.9
[M+Na]+ 300.02297 159.2
[M-H]- 276.02647 142.6
[M+NH4]+ 295.06757 165.4
[M+K]+ 315.99691 155.4
[M+H-H2O]+ 260.03101 139.5
[M+HCOO]- 322.03195 159.4
[M+CH3COO]- 336.04760 195.1
[M+Na-2H]- 298.00842 152.1
[M]+ 277.03320 138.9
[M]- 277.03430 138.9
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.