CID 164153

Xrd 563

Structural Information

Molecular Formula
C15H10Cl2F3NO
SMILES
C1=CC(=C(C(=C1)Cl)C(=O)NCC2=CC=C(C=C2)C(F)(F)F)Cl
InChI
InChI=1S/C15H10Cl2F3NO/c16-11-2-1-3-12(17)13(11)14(22)21-8-9-4-6-10(7-5-9)15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKey
OZSVBRVFXIOJSU-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4187
Patents

347.00916 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.01644 170.4
[M+Na]+ 369.99838 180.5
[M-H]- 346.00188 172.9
[M+NH4]+ 365.04298 185.0
[M+K]+ 385.97232 172.7
[M+H-H2O]+ 330.00642 162.1
[M+HCOO]- 392.00736 180.6
[M+CH3COO]- 406.02301 210.5
[M+Na-2H]- 367.98383 172.7
[M]+ 347.00861 170.4
[M]- 347.00971 170.4
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