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

6
Patents

240.99176 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.99904 140.7
[M+Na]+ 263.98098 152.0
[M-H]- 239.98448 139.6
[M+NH4]+ 259.02558 159.1
[M+K]+ 279.95492 146.9
[M+H-H2O]+ 223.98902 133.2
[M+HCOO]- 285.98996 155.1
[M+CH3COO]- 300.00561 192.5
[M+Na-2H]- 261.96643 143.3
[M]+ 240.99121 136.5
[M]- 240.99231 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