CID 21653720

5-ethyl-2-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C8H8F3N
SMILES
CCC1=CN=C(C=C1)C(F)(F)F
InChI
InChI=1S/C8H8F3N/c1-2-6-3-4-7(12-5-6)8(9,10)11/h3-5H,2H2,1H3
InChIKey
SMZCIFQBUAWRNQ-UHFFFAOYSA-N
Compound name
5-ethyl-2-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

361
Patents

175.06088 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.068156 131.7
[M+Na]+ 198.050098 141.3
[M-H]- 174.053604 130.5
[M+NH4]+ 193.094703 151.0
[M+K]+ 214.024038 138.6
[M+H-H2O]+ 158.058140 123.4
[M+HCOO]- 220.059081 150.6
[M+CH3COO]- 234.074731 180.1
[M+Na-2H]- 196.035546 138.7
[M]+ 175.06033142 128.1
[M]- 175.06142858 128.1
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