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

3
Patents

175.06088 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.068156 131.2
[M+Na]+ 198.050098 141.7
[M-H]- 174.053604 130.4
[M+NH4]+ 193.094703 150.8
[M+K]+ 214.024038 139.1
[M+H-H2O]+ 158.058140 123.1
[M+HCOO]- 220.059081 150.0
[M+CH3COO]- 234.074731 181.3
[M+Na-2H]- 196.035546 137.5
[M]+ 175.06033142 127.9
[M]- 175.06142858 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