CID 132344000

(2,1,3-benzoxadiazol-5-yl)methanesulfonyl chloride

Structural Information

Molecular Formula
C7H5ClN2O3S
SMILES
C1=CC2=NON=C2C=C1CS(=O)(=O)Cl
InChI
InChI=1S/C7H5ClN2O3S/c8-14(11,12)4-5-1-2-6-7(3-5)10-13-9-6/h1-3H,4H2
InChIKey
PJABDERKAGOGIH-UHFFFAOYSA-N
Compound name
2,1,3-benzoxadiazol-5-ylmethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.97095 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.97823 142.6
[M+Na]+ 254.96017 156.1
[M-H]- 230.96367 146.7
[M+NH4]+ 250.00477 161.3
[M+K]+ 270.93411 153.2
[M+H-H2O]+ 214.96821 137.6
[M+HCOO]- 276.96915 156.2
[M+CH3COO]- 290.98480 181.5
[M+Na-2H]- 252.94562 150.2
[M]+ 231.97040 151.1
[M]- 231.97150 151.1
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.