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]+ 189.06342 135.4
[M+Na]+ 211.04536 144.8
[M-H]- 187.04886 132.1
[M+NH4]+ 206.08996 154.7
[M+K]+ 227.01930 140.7
[M+H-H2O]+ 171.05340 126.6
[M+HCOO]- 233.05434 150.6
[M+CH3COO]- 247.06999 177.8
[M+Na-2H]- 209.03081 141.4
[M]+ 188.05559 128.6
[M]- 188.05669 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.