CID 384618

319-76-6

Structural Information

Molecular Formula
C12H11F3N2O
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C(F)(F)F
InChI
InChI=1S/C12H11F3N2O/c13-12(14,15)11(18)16-6-5-8-7-17-10-4-2-1-3-9(8)10/h1-4,7,17H,5-6H2,(H,16,18)
InChIKey
KDFCROJYVJQVQK-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

14
Patents

256.08234 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08962 152.3
[M+Na]+ 279.07156 161.1
[M-H]- 255.07506 150.6
[M+NH4]+ 274.11616 169.9
[M+K]+ 295.04550 156.0
[M+H-H2O]+ 239.07960 143.4
[M+HCOO]- 301.08054 170.8
[M+CH3COO]- 315.09619 192.7
[M+Na-2H]- 277.05701 157.6
[M]+ 256.08179 148.6
[M]- 256.08289 148.6
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.