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

2
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 132.2
[M+Na]+ 209.02970 143.7
[M-H]- 185.03320 129.7
[M+NH4]+ 204.07430 151.8
[M+K]+ 225.00364 139.1
[M+H-H2O]+ 169.03774 123.5
[M+HCOO]- 231.03868 150.3
[M+CH3COO]- 245.05433 177.3
[M+Na-2H]- 207.01515 140.2
[M]+ 186.03993 128.4
[M]- 186.04103 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