CID 21795173

111310-59-9

Structural Information

Molecular Formula
C7H6ClNO2S
SMILES
C1C2=C(C=CC(=C2)Cl)NS1(=O)=O
InChI
InChI=1S/C7H6ClNO2S/c8-6-1-2-7-5(3-6)4-12(10,11)9-7/h1-3,9H,4H2
InChIKey
ZOQPCTNXWYKEAN-UHFFFAOYSA-N
Compound name
5-chloro-1,3-dihydro-2,1-benzothiazole 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.98077 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.98805 135.2
[M+Na]+ 225.96999 147.7
[M-H]- 201.97349 138.3
[M+NH4]+ 221.01459 159.1
[M+K]+ 241.94393 142.5
[M+H-H2O]+ 185.97803 132.0
[M+HCOO]- 247.97897 148.1
[M+CH3COO]- 261.99462 149.5
[M+Na-2H]- 223.95544 140.2
[M]+ 202.98022 138.2
[M]- 202.98132 138.2
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.