CID 50989372

4-iodo-5-(trifluoromethyl)-1h-pyrrolo[2,3-b]pyridine

Structural Information

Molecular Formula
C8H4F3IN2
SMILES
C1=CNC2=NC=C(C(=C21)I)C(F)(F)F
InChI
InChI=1S/C8H4F3IN2/c9-8(10,11)5-3-14-7-4(6(5)12)1-2-13-7/h1-3H,(H,13,14)
InChIKey
GYRRXQBOUNXNLU-UHFFFAOYSA-N
Compound name
4-iodo-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.93713 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.94441 137.7
[M+Na]+ 334.92635 142.7
[M-H]- 310.92985 128.8
[M+NH4]+ 329.97095 152.0
[M+K]+ 350.90029 143.8
[M+H-H2O]+ 294.93439 126.0
[M+HCOO]- 356.93533 151.0
[M+CH3COO]- 370.95098 189.7
[M+Na-2H]- 332.91180 133.5
[M]+ 311.93658 132.2
[M]- 311.93768 132.2
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

No patent data available for this compound.