CID 124036855

2742656-79-5

Structural Information

Molecular Formula
C8H7F3N2
SMILES
C1CNC2=C1C=CC(=N2)C(F)(F)F
InChI
InChI=1S/C8H7F3N2/c9-8(10,11)6-2-1-5-3-4-12-7(5)13-6/h1-2H,3-4H2,(H,12,13)
InChIKey
GSVMRFFMTONYQZ-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.05614 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.063416 135.4
[M+Na]+ 211.045358 144.8
[M-H]- 187.048864 132.1
[M+NH4]+ 206.089963 154.7
[M+K]+ 227.019298 140.7
[M+H-H2O]+ 171.053400 126.6
[M+HCOO]- 233.054341 150.6
[M+CH3COO]- 247.069991 177.8
[M+Na-2H]- 209.030806 141.4
[M]+ 188.05559142 128.6
[M]- 188.05668858 128.6
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.