CID 49761631

4-chloro-5-fluoro-6-iodo-1h-pyrrolo[2,3-b]pyridine

Structural Information

Molecular Formula
C7H3ClFIN2
SMILES
C1=CNC2=NC(=C(C(=C21)Cl)F)I
InChI
InChI=1S/C7H3ClFIN2/c8-4-3-1-2-11-7(3)12-6(10)5(4)9/h1-2H,(H,11,12)
InChIKey
RJMPUPGWZJBCAY-UHFFFAOYSA-N
Compound name
4-chloro-5-fluoro-6-iodo-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.90134 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.90862 130.8
[M+Na]+ 318.89056 137.3
[M-H]- 294.89406 124.3
[M+NH4]+ 313.93516 146.8
[M+K]+ 334.86450 137.4
[M+H-H2O]+ 278.89860 121.1
[M+HCOO]- 340.89954 143.6
[M+CH3COO]- 354.91519 141.1
[M+Na-2H]- 316.87601 126.6
[M]+ 295.90079 129.8
[M]- 295.90189 129.8
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.