CID 671586

3-chloro-2-(1h-pyrrol-1-yl)-5-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C10H6ClF3N2
SMILES
C1=CN(C=C1)C2=C(C=C(C=N2)C(F)(F)F)Cl
InChI
InChI=1S/C10H6ClF3N2/c11-8-5-7(10(12,13)14)6-15-9(8)16-3-1-2-4-16/h1-6H
InChIKey
VTPAUOGNKCCAMU-UHFFFAOYSA-N
Compound name
3-chloro-2-pyrrol-1-yl-5-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

246.01717 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.02445 146.0
[M+Na]+ 269.00639 157.5
[M-H]- 245.00989 146.7
[M+NH4]+ 264.05099 163.4
[M+K]+ 284.98033 151.7
[M+H-H2O]+ 229.01443 136.1
[M+HCOO]- 291.01537 160.3
[M+CH3COO]- 305.03102 189.3
[M+Na-2H]- 266.99184 150.5
[M]+ 246.01662 144.3
[M]- 246.01772 144.3
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

patents stripe