CID 67302989

3-methyl-5-(trifluoromethyl)pyridine-2-carbonitrile

Structural Information

Molecular Formula
C8H5F3N2
SMILES
CC1=CC(=CN=C1C#N)C(F)(F)F
InChI
InChI=1S/C8H5F3N2/c1-5-2-6(8(9,10)11)4-13-7(5)3-12/h2,4H,1H3
InChIKey
OEYPDGGRZFTLDB-UHFFFAOYSA-N
Compound name
3-methyl-5-(trifluoromethyl)pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

186.04048 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.04776 131.2
[M+Na]+ 209.02970 142.6
[M-H]- 185.03320 129.9
[M+NH4]+ 204.07430 148.0
[M+K]+ 225.00364 139.8
[M+H-H2O]+ 169.03774 116.5
[M+HCOO]- 231.03868 146.9
[M+CH3COO]- 245.05433 194.5
[M+Na-2H]- 207.01515 137.1
[M]+ 186.03993 122.9
[M]- 186.04103 122.9
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