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

74
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 144.2
[M+Na]+ 274.90554 159.0
[M-H]- 250.90904 148.3
[M+NH4]+ 269.95014 162.7
[M+K]+ 290.87948 155.3
[M+H-H2O]+ 234.91358 140.1
[M+HCOO]- 296.91452 152.9
[M+CH3COO]- 310.93017 158.5
[M+Na-2H]- 272.89099 150.9
[M]+ 251.91577 153.5
[M]- 251.91687 153.5
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