CID 90860816

5-azido-2-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H3F3N4
SMILES
C1=CC(=NC=C1N=[N+]=[N-])C(F)(F)F
InChI
InChI=1S/C6H3F3N4/c7-6(8,9)5-2-1-4(3-11-5)12-13-10/h1-3H
InChIKey
NDJYFUQBBCYSKK-UHFFFAOYSA-N
Compound name
5-azido-2-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

188.03098 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.03826 129.0
[M+Na]+ 211.02020 137.9
[M-H]- 187.02370 130.7
[M+NH4]+ 206.06480 147.6
[M+K]+ 226.99414 131.5
[M+H-H2O]+ 171.02824 124.2
[M+HCOO]- 233.02918 155.4
[M+CH3COO]- 247.04483 183.9
[M+Na-2H]- 209.00565 141.1
[M]+ 188.03043 122.7
[M]- 188.03153 122.7
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

patents stripe