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

26
Patents

139.02336 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.030636 118.1
[M+Na]+ 162.012578 130.2
[M-H]- 138.016084 116.9
[M+NH4]+ 157.057183 136.3
[M+K]+ 177.986518 126.5
[M+H-H2O]+ 122.020620 104.7
[M+HCOO]- 184.021561 134.4
[M+CH3COO]- 198.037211 183.0
[M+Na-2H]- 159.998026 124.2
[M]+ 139.02281142 110.3
[M]- 139.02390858 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