CID 384621

Nsc674634

Structural Information

Molecular Formula
C13H11F5N2O
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C(C(F)(F)F)(F)F
InChI
InChI=1S/C13H11F5N2O/c14-12(15,13(16,17)18)11(21)19-6-5-8-7-20-10-4-2-1-3-9(8)10/h1-4,7,20H,5-6H2,(H,19,21)
InChIKey
VGGYHGSBLATFTE-UHFFFAOYSA-N
Compound name
2,2,3,3,3-pentafluoro-N-[2-(1H-indol-3-yl)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.07916 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08644 162.5
[M+Na]+ 329.06838 171.3
[M-H]- 305.07188 158.3
[M+NH4]+ 324.11298 177.9
[M+K]+ 345.04232 165.7
[M+H-H2O]+ 289.07642 152.2
[M+HCOO]- 351.07736 176.9
[M+CH3COO]- 365.09301 201.8
[M+Na-2H]- 327.05383 167.1
[M]+ 306.07861 156.2
[M]- 306.07971 156.2
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.