CID 589126

3-(trifluoroacetyl)indole

Structural Information

Molecular Formula
C10H6F3NO
SMILES
C1=CC=C2C(=C1)C(=CN2)C(=O)C(F)(F)F
InChI
InChI=1S/C10H6F3NO/c11-10(12,13)9(15)7-5-14-8-4-2-1-3-6(7)8/h1-5,14H
InChIKey
LCMDCXWSHDFQKP-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

194
Patents

213.04015 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.04743 139.3
[M+Na]+ 236.02937 149.9
[M-H]- 212.03287 138.1
[M+NH4]+ 231.07397 159.0
[M+K]+ 252.00331 145.3
[M+H-H2O]+ 196.03741 131.3
[M+HCOO]- 258.03835 157.5
[M+CH3COO]- 272.05400 182.5
[M+Na-2H]- 234.01482 145.2
[M]+ 213.03960 135.8
[M]- 213.04070 135.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe