CID 74891456

3-ethynyl-2,4-difluoropyridine

Structural Information

Molecular Formula
C7H3F2N
SMILES
C#CC1=C(C=CN=C1F)F
InChI
InChI=1S/C7H3F2N/c1-2-5-6(8)3-4-10-7(5)9/h1,3-4H
InChIKey
WBEJUEPTTKSYQB-UHFFFAOYSA-N
Compound name
3-ethynyl-2,4-difluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

139.02336 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.03064 118.1
[M+Na]+ 162.01258 130.2
[M-H]- 138.01608 116.9
[M+NH4]+ 157.05718 136.3
[M+K]+ 177.98652 126.5
[M+H-H2O]+ 122.02062 104.7
[M+HCOO]- 184.02156 134.4
[M+CH3COO]- 198.03721 183.0
[M+Na-2H]- 159.99803 124.2
[M]+ 139.02281 110.3
[M]- 139.02391 110.3
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