CID 21874893

573762-57-9

Structural Information

Molecular Formula
C7H2F3N3O2
SMILES
C1=C(C=NC(=C1C(F)(F)F)C#N)[N+](=O)[O-]
InChI
InChI=1S/C7H2F3N3O2/c8-7(9,10)5-1-4(13(14)15)3-12-6(5)2-11/h1,3H
InChIKey
IDGUNYFTVCEPGA-UHFFFAOYSA-N
Compound name
5-nitro-3-(trifluoromethyl)pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

217.00992 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.01720 138.6
[M+Na]+ 239.99914 148.9
[M-H]- 216.00264 137.2
[M+NH4]+ 235.04374 153.1
[M+K]+ 255.97308 143.1
[M+H-H2O]+ 200.00718 127.7
[M+HCOO]- 262.00812 155.5
[M+CH3COO]- 276.02377 192.9
[M+Na-2H]- 237.98459 145.8
[M]+ 217.00937 128.7
[M]- 217.01047 128.7
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