CID 82404226

2-(trifluoromethyl)-1h,4h,5h,6h,7h-pyrrolo[2,3-c]pyridine hydrochloride

Structural Information

Molecular Formula
C8H9F3N2
SMILES
C1CNCC2=C1C=C(N2)C(F)(F)F
InChI
InChI=1S/C8H9F3N2/c9-8(10,11)7-3-5-1-2-12-4-6(5)13-7/h3,12-13H,1-2,4H2
InChIKey
MQMJZBQHVGPYST-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.07178 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07906 137.6
[M+Na]+ 213.06100 145.6
[M-H]- 189.06450 132.6
[M+NH4]+ 208.10560 156.0
[M+K]+ 229.03494 140.8
[M+H-H2O]+ 173.06904 129.1
[M+HCOO]- 235.06998 149.9
[M+CH3COO]- 249.08563 175.6
[M+Na-2H]- 211.04645 142.1
[M]+ 190.07123 127.6
[M]- 190.07233 127.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.