CID 76847318

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

Structural Information

Molecular Formula
C8H5F3N2
SMILES
C1=CNC2=C1C(=CN=C2)C(F)(F)F
InChI
InChI=1S/C8H5F3N2/c9-8(10,11)6-3-12-4-7-5(6)1-2-13-7/h1-4,13H
InChIKey
SWYGYNZPZYNEEA-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

186.04048 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.047756 132.2
[M+Na]+ 209.029698 143.7
[M-H]- 185.033204 129.7
[M+NH4]+ 204.074303 151.8
[M+K]+ 225.003638 139.1
[M+H-H2O]+ 169.037740 123.5
[M+HCOO]- 231.038681 150.3
[M+CH3COO]- 245.054331 177.3
[M+Na-2H]- 207.015146 140.2
[M]+ 186.03993142 128.4
[M]- 186.04102858 128.4
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

patents stripe