CID 3271419

2-hydrazinyl-3-nitro-5-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H5F3N4O2
SMILES
C1=C(C=NC(=C1[N+](=O)[O-])NN)C(F)(F)F
InChI
InChI=1S/C6H5F3N4O2/c7-6(8,9)3-1-4(13(14)15)5(12-10)11-2-3/h1-2H,10H2,(H,11,12)
InChIKey
CUUQSZLMISKOHS-UHFFFAOYSA-N
Compound name
[3-nitro-5-(trifluoromethyl)pyridin-2-yl]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

222.03645 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.04373 135.1
[M+Na]+ 245.02567 143.3
[M-H]- 221.02917 133.9
[M+NH4]+ 240.07027 150.6
[M+K]+ 260.99961 136.8
[M+H-H2O]+ 205.03371 130.7
[M+HCOO]- 267.03465 157.3
[M+CH3COO]- 281.05030 185.1
[M+Na-2H]- 243.01112 144.0
[M]+ 222.03590 127.4
[M]- 222.03700 127.4
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