CID 130116198

2445786-05-8

Structural Information

Molecular Formula
C8H7ClF3N
SMILES
CC1=C(C=CN=C1CCl)C(F)(F)F
InChI
InChI=1S/C8H7ClF3N/c1-5-6(8(10,11)12)2-3-13-7(5)4-9/h2-3H,4H2,1H3
InChIKey
AJEIIHTUKPGYBR-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-3-methyl-4-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.02191 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.02919 142.3
[M+Na]+ 232.01113 153.4
[M+NH4]+ 227.05573 148.7
[M+K]+ 247.98507 147.2
[M-H]- 208.01463 139.5
[M+Na-2H]- 229.99658 147.4
[M]+ 209.02136 143.2
[M]- 209.02246 143.2
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

No patent data available for this compound.