CID 235600

3-hydroxy-n-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide

Structural Information

Molecular Formula
C18H12F3NO2
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=CC(=C3)C(F)(F)F)O
InChI
InChI=1S/C18H12F3NO2/c19-18(20,21)13-6-3-7-14(10-13)22-17(24)15-8-11-4-1-2-5-12(11)9-16(15)23/h1-10,23H,(H,22,24)
InChIKey
TYINNZKCWQSFLU-UHFFFAOYSA-N
Compound name
3-hydroxy-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

331.082 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.08928 172.8
[M+Na]+ 354.07122 181.1
[M-H]- 330.07472 175.5
[M+NH4]+ 349.11582 186.6
[M+K]+ 370.04516 175.0
[M+H-H2O]+ 314.07926 162.6
[M+HCOO]- 376.08020 189.8
[M+CH3COO]- 390.09585 209.0
[M+Na-2H]- 352.05667 177.5
[M]+ 331.08145 168.3
[M]- 331.08255 168.3
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