CID 57914020

3,4-dimethyl-2-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C8H8F3N
SMILES
CC1=C(C(=NC=C1)C(F)(F)F)C
InChI
InChI=1S/C8H8F3N/c1-5-3-4-12-7(6(5)2)8(9,10)11/h3-4H,1-2H3
InChIKey
CKMXFYQTHRIBLR-UHFFFAOYSA-N
Compound name
3,4-dimethyl-2-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

175.06088 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.06816 131.2
[M+Na]+ 198.05010 141.7
[M-H]- 174.05360 130.4
[M+NH4]+ 193.09470 150.8
[M+K]+ 214.02404 139.1
[M+H-H2O]+ 158.05814 123.1
[M+HCOO]- 220.05908 150.0
[M+CH3COO]- 234.07473 181.3
[M+Na-2H]- 196.03555 137.5
[M]+ 175.06033 127.9
[M]- 175.06143 127.9
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