CID 13339384

94239-06-2

Structural Information

Molecular Formula
C6H6F3N3
SMILES
C1=CC(=NC(=C1)NN)C(F)(F)F
InChI
InChI=1S/C6H6F3N3/c7-6(8,9)4-2-1-3-5(11-4)12-10/h1-3H,10H2,(H,11,12)
InChIKey
PWAIGTRIQMKRHC-UHFFFAOYSA-N
Compound name
[6-(trifluoromethyl)-2-pyridinyl]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

177.05138 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.058656 130.8
[M+Na]+ 200.040598 139.4
[M-H]- 176.044104 129.2
[M+NH4]+ 195.085203 148.9
[M+K]+ 216.014538 136.6
[M+H-H2O]+ 160.048640 121.9
[M+HCOO]- 222.049581 151.7
[M+CH3COO]- 236.065231 183.0
[M+Na-2H]- 198.026046 138.4
[M]+ 177.05083142 123.9
[M]- 177.05192858 123.9
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