CID 23316

Brn 0483902

Structural Information

Molecular Formula
C12H11F3N2O
SMILES
CN(C)C1=CC2=C(C=C1)NC=C2C(=O)C(F)(F)F
InChI
InChI=1S/C12H11F3N2O/c1-17(2)7-3-4-10-8(5-7)9(6-16-10)11(18)12(13,14)15/h3-6,16H,1-2H3
InChIKey
XSYIGNTVFXNTQH-UHFFFAOYSA-N
Compound name
1-[5-(dimethylamino)-1H-indol-3-yl]-2,2,2-trifluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.08234 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08962 152.1
[M+Na]+ 279.07156 161.9
[M-H]- 255.07506 152.4
[M+NH4]+ 274.11616 170.6
[M+K]+ 295.04550 158.3
[M+H-H2O]+ 239.07960 143.4
[M+HCOO]- 301.08054 171.1
[M+CH3COO]- 315.09619 198.0
[M+Na-2H]- 277.05701 156.1
[M]+ 256.08179 150.2
[M]- 256.08289 150.2
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.