CID 37863465

6-methyl-2,3-bis-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C8H5F6N
SMILES
CC1=NC(=C(C=C1)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C8H5F6N/c1-4-2-3-5(7(9,10)11)6(15-4)8(12,13)14/h2-3H,1H3
InChIKey
TVSKSASIHFEAQQ-UHFFFAOYSA-N
Compound name
6-methyl-2,3-bis(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.03262 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.03990 140.5
[M+Na]+ 252.02184 151.6
[M-H]- 228.02534 136.0
[M+NH4]+ 247.06644 157.7
[M+K]+ 267.99578 148.0
[M+H-H2O]+ 212.02988 130.0
[M+HCOO]- 274.03082 154.4
[M+CH3COO]- 288.04647 189.8
[M+Na-2H]- 250.00729 145.6
[M]+ 229.03207 132.6
[M]- 229.03317 132.6
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

No patent data available for this compound.