CID 12629796

75302-64-6

Structural Information

Molecular Formula
C6H4ClFN2O
SMILES
C1=C(C=NC(=C1C(=O)N)Cl)F
InChI
InChI=1S/C6H4ClFN2O/c7-5-4(6(9)11)1-3(8)2-10-5/h1-2H,(H2,9,11)
InChIKey
KHRZSLCUROLAAR-UHFFFAOYSA-N
Compound name
2-chloro-5-fluoropyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

394
Patents

173.99962 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.00690 128.8
[M+Na]+ 196.98884 139.4
[M-H]- 172.99234 130.0
[M+NH4]+ 192.03344 148.4
[M+K]+ 212.96278 135.6
[M+H-H2O]+ 156.99688 122.7
[M+HCOO]- 218.99782 147.3
[M+CH3COO]- 233.01347 179.8
[M+Na-2H]- 194.97429 134.3
[M]+ 173.99907 128.1
[M]- 174.00017 128.1
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