CID 57748126

1378865-93-0

Structural Information

Molecular Formula
C10H12F3N
SMILES
CC1=CC(=NC=C1)C(C)(C)C(F)(F)F
InChI
InChI=1S/C10H12F3N/c1-7-4-5-14-8(6-7)9(2,3)10(11,12)13/h4-6H,1-3H3
InChIKey
YDCXKPKYKHZBLU-UHFFFAOYSA-N
Compound name
4-methyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

27
Patents

203.09218 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.099456 141.0
[M+Na]+ 226.081398 150.1
[M-H]- 202.084904 139.8
[M+NH4]+ 221.126003 159.3
[M+K]+ 242.055338 147.5
[M+H-H2O]+ 186.089440 132.9
[M+HCOO]- 248.090381 157.6
[M+CH3COO]- 262.106031 186.7
[M+Na-2H]- 224.066846 147.6
[M]+ 203.09163142 137.5
[M]- 203.09272858 137.5
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