CID 165604871

2731009-97-3

Structural Information

Molecular Formula
C8H7F3N2
SMILES
C1CNC2=CC(=NC=C21)C(F)(F)F
InChI
InChI=1S/C8H7F3N2/c9-8(10,11)7-3-6-5(4-13-7)1-2-12-6/h3-4,12H,1-2H2
InChIKey
LULUQCGBRUROOC-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.05614 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06342 139.3
[M+Na]+ 211.04536 147.9
[M+NH4]+ 206.08996 145.3
[M+K]+ 227.01930 144.5
[M-H]- 187.04886 135.2
[M+Na-2H]- 209.03081 142.5
[M]+ 188.05559 139.0
[M]- 188.05669 139.0
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.