CID 214901

Brn 3009888

Structural Information

Molecular Formula
C15H8ClF6NO
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl
InChI
InChI=1S/C15H8ClF6NO/c16-11-5-4-10(15(20,21)22)7-12(11)23-13(24)8-2-1-3-9(6-8)14(17,18)19/h1-7H,(H,23,24)
InChIKey
JZRABWBMFUJCHO-UHFFFAOYSA-N
Compound name
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.01987 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.02715 173.4
[M+Na]+ 390.00909 183.7
[M-H]- 366.01259 172.9
[M+NH4]+ 385.05369 186.5
[M+K]+ 405.98303 176.5
[M+H-H2O]+ 350.01713 162.0
[M+HCOO]- 412.01807 183.7
[M+CH3COO]- 426.03372 214.4
[M+Na-2H]- 387.99454 175.5
[M]+ 367.01932 167.5
[M]- 367.02042 167.5
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

No patent data available for this compound.