CID 99284

2802-85-9

Structural Information

Molecular Formula
C14H8ClF4NO
SMILES
C1=CC=C(C(=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)F
InChI
InChI=1S/C14H8ClF4NO/c15-10-6-5-8(14(17,18)19)7-12(10)20-13(21)9-3-1-2-4-11(9)16/h1-7H,(H,20,21)
InChIKey
IQQNCZDWYREVSB-UHFFFAOYSA-N
Compound name
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

317.02304 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.03032 163.3
[M+Na]+ 340.01226 173.5
[M-H]- 316.01576 165.3
[M+NH4]+ 335.05686 178.6
[M+K]+ 355.98620 166.8
[M+H-H2O]+ 300.02030 153.6
[M+HCOO]- 362.02124 177.7
[M+CH3COO]- 376.03689 206.1
[M+Na-2H]- 337.99771 166.2
[M]+ 317.02249 160.2
[M]- 317.02359 160.2
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