CID 431950

Nsc301166

Structural Information

Molecular Formula
C18H10F3NO3S
SMILES
C1=CC=C2C(=C1)C=C3C(=C(S(=O)(=O)C3=N2)C4=CC(=CC=C4)C(F)(F)F)O
InChI
InChI=1S/C18H10F3NO3S/c19-18(20,21)12-6-3-5-11(8-12)16-15(23)13-9-10-4-1-2-7-14(10)22-17(13)26(16,24)25/h1-9,23H
InChIKey
PFEVDQFIHPQKSN-UHFFFAOYSA-N
Compound name
1,1-dioxo-2-[3-(trifluoromethyl)phenyl]thieno[2,3-b]quinolin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.03336 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.04064 182.3
[M+Na]+ 400.02258 196.0
[M-H]- 376.02608 186.0
[M+NH4]+ 395.06718 199.2
[M+K]+ 415.99652 188.7
[M+H-H2O]+ 360.03062 173.4
[M+HCOO]- 422.03156 194.1
[M+CH3COO]- 436.04721 193.3
[M+Na-2H]- 398.00803 186.1
[M]+ 377.03281 184.3
[M]- 377.03391 184.3
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

No patent data available for this compound.