CID 5056324

N-(3-(trifluoromethyl)phenyl)-1-naphthamide

Structural Information

Molecular Formula
C18H12F3NO
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C18H12F3NO/c19-18(20,21)13-7-4-8-14(11-13)22-17(23)16-10-3-6-12-5-1-2-9-15(12)16/h1-11H,(H,22,23)
InChIKey
SOXBAYNDRKZFCM-UHFFFAOYSA-N
Compound name
N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

315.0871 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.09438 169.5
[M+Na]+ 338.07632 177.5
[M-H]- 314.07982 173.2
[M+NH4]+ 333.12092 184.4
[M+K]+ 354.05026 171.4
[M+H-H2O]+ 298.08436 158.9
[M+HCOO]- 360.08530 187.8
[M+CH3COO]- 374.10095 208.1
[M+Na-2H]- 336.06177 175.2
[M]+ 315.08655 165.0
[M]- 315.08765 165.0
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