CID 642820

3,5-difluoropyridine

Structural Information

Molecular Formula
C5H3F2N
SMILES
C1=C(C=NC=C1F)F
InChI
InChI=1S/C5H3F2N/c6-4-1-5(7)3-8-2-4/h1-3H
InChIKey
WRXAZPPGFLETFR-UHFFFAOYSA-N
Compound name
3,5-difluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1585
Patents

115.02335 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.030626 114.0
[M+Na]+ 138.012568 124.2
[M-H]- 114.016074 114.3
[M+NH4]+ 133.057173 135.6
[M+K]+ 153.986508 122.5
[M+H-H2O]+ 98.020610 106.7
[M+HCOO]- 160.021551 136.5
[M+CH3COO]- 174.037201 168.6
[M+Na-2H]- 135.998016 122.8
[M]+ 115.02280142 111.1
[M]- 115.02389858 111.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe