CID 6102820

2,5-dichloro-n-(5-chloro-1,3-benzoxazol-2-yl)benzenesulfonamide

Structural Information

Molecular Formula
C13H7Cl3N2O3S
SMILES
C1=CC2=C(C=C1Cl)N=C(O2)NS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C13H7Cl3N2O3S/c14-7-2-4-11-10(5-7)17-13(21-11)18-22(19,20)12-6-8(15)1-3-9(12)16/h1-6H,(H,17,18)
InChIKey
JCXZHFCBNFFHRC-UHFFFAOYSA-N
Compound name
2,5-dichloro-N-(5-chloro-1,3-benzoxazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

18
Patents

375.9243 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.93158 179.0
[M+Na]+ 398.91352 192.4
[M-H]- 374.91702 186.2
[M+NH4]+ 393.95812 193.5
[M+K]+ 414.88746 186.8
[M+H-H2O]+ 358.92156 174.3
[M+HCOO]- 420.92250 183.6
[M+CH3COO]- 434.93815 190.6
[M+Na-2H]- 396.89897 182.8
[M]+ 375.92375 188.5
[M]- 375.92485 188.5
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