CID 25238452

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

Structural Information

Molecular Formula
C7H5ClN2O3S
SMILES
CC1=C(C2=NON=C2C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C7H5ClN2O3S/c1-4-2-3-5-6(10-13-9-5)7(4)14(8,11)12/h2-3H,1H3
InChIKey
PNFIAAOCDDIDNX-UHFFFAOYSA-N
Compound name
5-methyl-2,1,3-benzoxadiazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.97095 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.97823 144.9
[M+Na]+ 254.96017 159.4
[M+NH4]+ 250.00477 152.8
[M+K]+ 270.93411 153.9
[M-H]- 230.96367 146.2
[M+Na-2H]- 252.94562 150.0
[M]+ 231.97040 148.1
[M]- 231.97150 148.1
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.