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 144.5
[M+Na]+ 254.96017 158.5
[M+NH4]+ 250.00477 152.3
[M+K]+ 270.93411 152.9
[M-H]- 230.96367 145.6
[M+Na-2H]- 252.94562 149.8
[M]+ 231.97040 147.6
[M]- 231.97150 147.6
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

No patent data available for this compound.