CID 53404053

1214383-56-8

Structural Information

Molecular Formula
C7H3F3N2
SMILES
C1=CN=CC(=C1C#N)C(F)(F)F
InChI
InChI=1S/C7H3F3N2/c8-7(9,10)6-4-12-2-1-5(6)3-11/h1-2,4H
InChIKey
XDFMPLZEHJZSPJ-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

172.02483 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03211 127.5
[M+Na]+ 195.01405 138.5
[M-H]- 171.01755 125.9
[M+NH4]+ 190.05865 144.4
[M+K]+ 210.98799 135.7
[M+H-H2O]+ 155.02209 112.6
[M+HCOO]- 217.02303 143.4
[M+CH3COO]- 231.03868 190.8
[M+Na-2H]- 192.99950 134.4
[M]+ 172.02428 118.5
[M]- 172.02538 118.5
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