CID 3009174

2,4-difluoro-n-[4-(3,4,5-trihydroxyphenyl)thiazol-2-yl]benzenesulfonamide

Structural Information

Molecular Formula
C15H10F2N2O5S2
SMILES
C1=CC(=C(C=C1F)F)S(=O)(=O)NC2=NC(=CS2)C3=CC(=C(C(=C3)O)O)O
InChI
InChI=1S/C15H10F2N2O5S2/c16-8-1-2-13(9(17)5-8)26(23,24)19-15-18-10(6-25-15)7-3-11(20)14(22)12(21)4-7/h1-6,20-22H,(H,18,19)
InChIKey
OQNODYGWOFPHOU-UHFFFAOYSA-N
Compound name
2,4-difluoro-N-[4-(3,4,5-trihydroxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.9999 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.00718 182.3
[M+Na]+ 422.98912 192.4
[M-H]- 398.99262 185.4
[M+NH4]+ 418.03372 192.3
[M+K]+ 438.96306 184.6
[M+H-H2O]+ 382.99716 174.2
[M+HCOO]- 444.99810 190.9
[M+CH3COO]- 459.01375 211.9
[M+Na-2H]- 420.97457 182.1
[M]+ 399.99935 183.3
[M]- 400.00045 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.