CID 127737

Ly-295501

Structural Information

Molecular Formula
C15H12Cl2N2O4S
SMILES
C1COC2=C1C=C(C=C2)S(=O)(=O)NC(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H12Cl2N2O4S/c16-12-3-1-10(8-13(12)17)18-15(20)19-24(21,22)11-2-4-14-9(7-11)5-6-23-14/h1-4,7-8H,5-6H2,(H2,18,19,20)
InChIKey
VAMFSFIPDOODFH-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)urea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

2367
Patents

385.98947 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.99675 184.5
[M+Na]+ 408.97869 193.6
[M-H]- 384.98219 193.0
[M+NH4]+ 404.02329 199.1
[M+K]+ 424.95263 188.7
[M+H-H2O]+ 368.98673 180.0
[M+HCOO]- 430.98767 193.1
[M+CH3COO]- 445.00332 214.2
[M+Na-2H]- 406.96414 188.0
[M]+ 385.98892 190.9
[M]- 385.99002 190.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe