CID 2773748

3-chloro-2-fluoro-6-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C8H4ClF4NO
SMILES
C1=CC(=C(C(=C1C(F)(F)F)C(=O)N)F)Cl
InChI
InChI=1S/C8H4ClF4NO/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H2,14,15)
InChIKey
OQHHVMDGJULHEK-UHFFFAOYSA-N
Compound name
3-chloro-2-fluoro-6-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

240.99176 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.999036 140.7
[M+Na]+ 263.980978 152.0
[M-H]- 239.984484 139.6
[M+NH4]+ 259.025583 159.1
[M+K]+ 279.954918 146.9
[M+H-H2O]+ 223.989020 133.2
[M+HCOO]- 285.989961 155.1
[M+CH3COO]- 300.005611 192.5
[M+Na-2H]- 261.966426 143.3
[M]+ 240.99121142 136.5
[M]- 240.99230858 136.5
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