CID 79853

5-chloro-2-oxobenzoxazoline-6-sulphonyl chloride

Structural Information

Molecular Formula
C7H3Cl2NO4S
SMILES
C1=C2C(=CC(=C1Cl)S(=O)(=O)Cl)OC(=O)N2
InChI
InChI=1S/C7H3Cl2NO4S/c8-3-1-4-5(14-7(11)10-4)2-6(3)15(9,12)13/h1-2H,(H,10,11)
InChIKey
BILROERYVIUOEP-UHFFFAOYSA-N
Compound name
5-chloro-2-oxo-3H-1,3-benzoxazole-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

266.916 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.92328 147.2
[M+Na]+ 289.90522 161.9
[M-H]- 265.90872 151.6
[M+NH4]+ 284.94982 165.9
[M+K]+ 305.87916 157.2
[M+H-H2O]+ 249.91326 144.5
[M+HCOO]- 311.91420 155.8
[M+CH3COO]- 325.92985 184.8
[M+Na-2H]- 287.89067 152.9
[M]+ 266.91545 155.9
[M]- 266.91655 155.9
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

patents stripe