CID 278849

Nsc128787

Structural Information

Molecular Formula
C19H9F3N4O
SMILES
C1=CC=C2C(=C1)N=C3C4=C(C5=C(C3=N2)C(=O)C=C(N5)C(F)(F)F)N=CC=C4
InChI
InChI=1S/C19H9F3N4O/c20-19(21,22)13-8-12(27)14-17(26-13)15-9(4-3-7-23-15)16-18(14)25-11-6-2-1-5-10(11)24-16/h1-8H,(H,26,27)
InChIKey
MQPRZWVXENHHJN-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)-5H-quinoxalino[2,3-f][1,10]phenanthrolin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.07285 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.08013 188.3
[M+Na]+ 389.06207 203.0
[M-H]- 365.06557 186.5
[M+NH4]+ 384.10667 198.6
[M+K]+ 405.03601 192.4
[M+H-H2O]+ 349.07011 174.3
[M+HCOO]- 411.07105 198.9
[M+CH3COO]- 425.08670 196.9
[M+Na-2H]- 387.04752 199.3
[M]+ 366.07230 188.1
[M]- 366.07340 188.1
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.