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 184.8
[M+Na]+ 418.04437 194.2
[M-H]- 394.04787 189.7
[M+NH4]+ 413.08897 197.0
[M+K]+ 434.01831 188.4
[M+H-H2O]+ 378.05241 173.9
[M+HCOO]- 440.05335 201.2
[M+CH3COO]- 454.06900 225.8
[M+Na-2H]- 416.02982 190.9
[M]+ 395.05460 184.0
[M]- 395.05570 184.0
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.