CID 21942698

717871-83-5

Structural Information

Molecular Formula
C6H3ClFNO
SMILES
C1=CC(=NC=C1F)C(=O)Cl
InChI
InChI=1S/C6H3ClFNO/c7-6(10)5-2-1-4(8)3-9-5/h1-3H
InChIKey
IFBZBMDHYAUEJV-UHFFFAOYSA-N
Compound name
5-fluoropyridine-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

158.98872 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.99600 123.3
[M+Na]+ 181.97794 133.8
[M-H]- 157.98144 124.7
[M+NH4]+ 177.02254 143.8
[M+K]+ 197.95188 130.5
[M+H-H2O]+ 141.98598 117.3
[M+HCOO]- 203.98692 141.4
[M+CH3COO]- 218.00257 174.6
[M+Na-2H]- 179.96339 130.4
[M]+ 158.98817 124.0
[M]- 158.98927 124.0
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