CID 382410

Nsc669971

Structural Information

Molecular Formula
C16H10ClFN2O5S
SMILES
C1=CC(=CC=C1NC(=O)NS(=O)(=O)C2=COC3=C(C2=O)C=CC(=C3)F)Cl
InChI
InChI=1S/C16H10ClFN2O5S/c17-9-1-4-11(5-2-9)19-16(22)20-26(23,24)14-8-25-13-7-10(18)3-6-12(13)15(14)21/h1-8H,(H2,19,20,22)
InChIKey
FITFMRVFIOBJNY-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(7-fluoro-4-oxochromen-3-yl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.9983 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.00558 183.2
[M+Na]+ 418.98752 193.4
[M-H]- 394.99102 191.1
[M+NH4]+ 414.03212 194.9
[M+K]+ 434.96146 188.7
[M+H-H2O]+ 378.99556 175.4
[M+HCOO]- 440.99650 196.3
[M+CH3COO]- 455.01215 218.7
[M+Na-2H]- 416.97297 189.4
[M]+ 395.99775 189.2
[M]- 395.99885 189.2
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

No patent data available for this compound.