CID 54230149

Dtxsid50896354

Structural Information

Molecular Formula
C11H8F7N
SMILES
C1CNC2=C1C=C(C=C2)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C11H8F7N/c12-9(10(13,14)15,11(16,17)18)7-1-2-8-6(5-7)3-4-19-8/h1-2,5,19H,3-4H2
InChIKey
QIRDSKZNAOJVIT-UHFFFAOYSA-N
Compound name
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

287.0545 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.06178 156.9
[M+Na]+ 310.04372 166.1
[M-H]- 286.04722 150.0
[M+NH4]+ 305.08832 173.2
[M+K]+ 326.01766 160.6
[M+H-H2O]+ 270.05176 146.1
[M+HCOO]- 332.05270 164.8
[M+CH3COO]- 346.06835 196.2
[M+Na-2H]- 308.02917 160.8
[M]+ 287.05395 144.4
[M]- 287.05505 144.4
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