CID 74891488

2-(difluoromethyl)-5-ethynylpyridine

Structural Information

Molecular Formula
C8H5F2N
SMILES
C#CC1=CN=C(C=C1)C(F)F
InChI
InChI=1S/C8H5F2N/c1-2-6-3-4-7(8(9)10)11-5-6/h1,3-5,8H
InChIKey
FXTGUIJWLBREIU-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-5-ethynylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.039 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04628 123.8
[M+Na]+ 176.02822 134.5
[M-H]- 152.03172 122.1
[M+NH4]+ 171.07282 141.2
[M+K]+ 192.00216 130.8
[M+H-H2O]+ 136.03626 110.0
[M+HCOO]- 198.03720 138.8
[M+CH3COO]- 212.05285 185.4
[M+Na-2H]- 174.01367 128.9
[M]+ 153.03845 115.4
[M]- 153.03955 115.4
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.