CID 3464723

1-(2,2,3,3,4,4,4-heptafluorobutanoyl)indoline

Structural Information

Molecular Formula
C12H8F7NO
SMILES
C1CN(C2=CC=CC=C21)C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H8F7NO/c13-10(14,11(15,16)12(17,18)19)9(21)20-6-5-7-3-1-2-4-8(7)20/h1-4H,5-6H2
InChIKey
AZUBAGCUMALAFX-UHFFFAOYSA-N
Compound name
1-(2,3-dihydroindol-1-yl)-2,2,3,3,4,4,4-heptafluorobutan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

315.0494 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.05668 163.0
[M+Na]+ 338.03862 172.1
[M-H]- 314.04212 157.4
[M+NH4]+ 333.08322 178.7
[M+K]+ 354.01256 167.7
[M+H-H2O]+ 298.04666 151.9
[M+HCOO]- 360.04760 171.5
[M+CH3COO]- 374.06325 203.5
[M+Na-2H]- 336.02407 165.9
[M]+ 315.04885 152.7
[M]- 315.04995 152.7
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.