CID 362897

Nsc627371

Structural Information

Molecular Formula
C7H2F3N3O2Se
SMILES
C1=C(C=C(C2=N[Se]N=C21)[N+](=O)[O-])C(F)(F)F
InChI
InChI=1S/C7H2F3N3O2Se/c8-7(9,10)3-1-4-6(12-16-11-4)5(2-3)13(14)15/h1-2H
InChIKey
KXIIVIWWQMLJMU-UHFFFAOYSA-N
Compound name
4-nitro-6-(trifluoromethyl)-2,1,3-benzoselenadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

296.92642 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.93370 151.1
[M+Na]+ 319.91564 161.7
[M-H]- 295.91914 150.1
[M+NH4]+ 314.96024 168.1
[M+K]+ 335.88958 154.1
[M+H-H2O]+ 279.92368 146.0
[M+HCOO]- 341.92462 171.2
[M+CH3COO]- 355.94027 184.6
[M+Na-2H]- 317.90109 160.0
[M]+ 296.92587 148.2
[M]- 296.92697 148.2
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