CID 71671600

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

Structural Information

Molecular Formula
C8H4ClF3N2
SMILES
C1=C(C=NC2=C1C(=CN2)Cl)C(F)(F)F
InChI
InChI=1S/C8H4ClF3N2/c9-6-3-14-7-5(6)1-4(2-13-7)8(10,11)12/h1-3H,(H,13,14)
InChIKey
ZNXMTHBNOLFHJC-UHFFFAOYSA-N
Compound name
3-chloro-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.00151 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.00879 140.0
[M+Na]+ 242.99073 151.1
[M+NH4]+ 238.03533 146.3
[M+K]+ 258.96467 147.0
[M-H]- 218.99423 136.4
[M+Na-2H]- 240.97618 144.8
[M]+ 220.00096 140.6
[M]- 220.00206 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.