CID 387370

Nsc681122

Structural Information

Molecular Formula
C23H15F3N2O3
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2COC4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C23H15F3N2O3/c24-23(25,26)16-8-11-18-19(12-16)27-20(21(28-18)14-4-2-1-3-5-14)13-31-17-9-6-15(7-10-17)22(29)30/h1-12H,13H2,(H,29,30)
InChIKey
BLQPLDUJPUDTFQ-UHFFFAOYSA-N
Compound name
4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.1035 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.11078 200.8
[M+Na]+ 447.09272 209.2
[M-H]- 423.09622 203.6
[M+NH4]+ 442.13732 207.4
[M+K]+ 463.06666 201.7
[M+H-H2O]+ 407.10076 186.7
[M+HCOO]- 469.10170 213.2
[M+CH3COO]- 483.11735 208.2
[M+Na-2H]- 445.07817 204.0
[M]+ 424.10295 198.6
[M]- 424.10405 198.6
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.