CID 44150378

72207-97-7

Structural Information

Molecular Formula
C17H12F3N3O3S
SMILES
C1=CC=C(C(=C1)C(F)(F)F)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)N
InChI
InChI=1S/C17H12F3N3O3S/c18-17(19,20)13-3-1-2-4-15(13)22-23-16-12-7-6-11(27(24,25)26)9-10(12)5-8-14(16)21/h1-9H,21H2,(H,24,25,26)
InChIKey
CDDJNOVTRXNXKS-UHFFFAOYSA-N
Compound name
6-amino-5-[[2-(trifluoromethyl)phenyl]diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.05515 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.06243 182.0
[M+Na]+ 418.04437 190.5
[M+NH4]+ 413.08897 186.3
[M+K]+ 434.01831 184.1
[M-H]- 394.04787 181.9
[M+Na-2H]- 416.02982 187.6
[M]+ 395.05460 183.3
[M]- 395.05570 183.3
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.