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]+ 191.079056 137.6
[M+Na]+ 213.060998 145.6
[M-H]- 189.064504 132.6
[M+NH4]+ 208.105603 156.0
[M+K]+ 229.034938 140.8
[M+H-H2O]+ 173.069040 129.1
[M+HCOO]- 235.069981 149.9
[M+CH3COO]- 249.085631 175.6
[M+Na-2H]- 211.046446 142.1
[M]+ 190.07123142 127.6
[M]- 190.07232858 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.