CID 67302989

1226874-95-8

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

9
Patents

186.04048 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.047756 131.2
[M+Na]+ 209.029698 142.6
[M-H]- 185.033204 129.9
[M+NH4]+ 204.074303 148.0
[M+K]+ 225.003638 139.8
[M+H-H2O]+ 169.037740 116.5
[M+HCOO]- 231.038681 146.9
[M+CH3COO]- 245.054331 194.5
[M+Na-2H]- 207.015146 137.1
[M]+ 186.03993142 122.9
[M]- 186.04102858 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