CID 76847330

5-(trifluoromethyl)-1h-pyrrolo[2,3-c]pyridine

Structural Information

Molecular Formula
C8H5F3N2
SMILES
C1=CNC2=CN=C(C=C21)C(F)(F)F
InChI
InChI=1S/C8H5F3N2/c9-8(10,11)7-3-5-1-2-12-6(5)4-13-7/h1-4,12H
InChIKey
CHKXMUHSWBVSIA-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.04048 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.04776 136.1
[M+Na]+ 209.02970 146.4
[M+NH4]+ 204.07430 142.2
[M+K]+ 225.00364 142.7
[M-H]- 185.03320 132.4
[M+Na-2H]- 207.01515 141.0
[M]+ 186.03993 136.3
[M]- 186.04103 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.