CID 2779275

5-chloro-2,1,3-benzoxadiazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C6H2Cl2N2O3S
SMILES
C1=CC2=NON=C2C(=C1Cl)S(=O)(=O)Cl
InChI
InChI=1S/C6H2Cl2N2O3S/c7-3-1-2-4-5(10-13-9-4)6(3)14(8,11)12/h1-2H
InChIKey
ZFBZICACMDZKNQ-UHFFFAOYSA-N
Compound name
5-chloro-2,1,3-benzoxadiazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

251.91632 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.92360 148.1
[M+Na]+ 274.90554 163.1
[M+NH4]+ 269.95014 156.0
[M+K]+ 290.87948 157.0
[M-H]- 250.90904 149.1
[M+Na-2H]- 272.89099 153.2
[M]+ 251.91577 151.6
[M]- 251.91687 151.6
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