CID 9903497

N-(6-chloropyridin-3-yl)-3,4-difluorobenzamide

Structural Information

Molecular Formula
C12H7ClF2N2O
SMILES
C1=CC(=C(C=C1C(=O)NC2=CN=C(C=C2)Cl)F)F
InChI
InChI=1S/C12H7ClF2N2O/c13-11-4-2-8(6-16-11)17-12(18)7-1-3-9(14)10(15)5-7/h1-6H,(H,17,18)
InChIKey
GDGUOCFTHNGPBK-UHFFFAOYSA-N
Compound name
N-(6-chloropyridin-3-yl)-3,4-difluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

66
Patents

268.02148 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.02876 152.7
[M+Na]+ 291.01070 163.1
[M-H]- 267.01420 156.0
[M+NH4]+ 286.05530 168.5
[M+K]+ 306.98464 157.1
[M+H-H2O]+ 251.01874 143.7
[M+HCOO]- 313.01968 170.2
[M+CH3COO]- 327.03533 197.4
[M+Na-2H]- 288.99615 157.3
[M]+ 268.02093 152.2
[M]- 268.02203 152.2
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