CID 67952

Einecs 207-124-6

Structural Information

Molecular Formula
C24H15ClF3N3O2
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)C(F)(F)F)Cl
InChI
InChI=1S/C24H15ClF3N3O2/c25-19-11-10-15(24(26,27)28)13-20(19)30-31-21-17-9-5-4-6-14(17)12-18(22(21)32)23(33)29-16-7-2-1-3-8-16/h1-13,32H,(H,29,33)
InChIKey
TXHKQCHFWNHZGX-UHFFFAOYSA-N
Compound name
4-[[2-chloro-5-(trifluoromethyl)phenyl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.08047 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.08775 208.9
[M+Na]+ 492.06969 217.7
[M-H]- 468.07319 216.9
[M+NH4]+ 487.11429 218.4
[M+K]+ 508.04363 210.0
[M+H-H2O]+ 452.07773 196.2
[M+HCOO]- 514.07867 225.5
[M+CH3COO]- 528.09432 242.2
[M+Na-2H]- 490.05514 212.9
[M]+ 469.07992 209.1
[M]- 469.08102 209.1
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.