CID 125424900

2044713-76-8

Structural Information

Molecular Formula
C9H10N2O2S
SMILES
C1CC1N2C3=CC=CC=C3NS2(=O)=O
InChI
InChI=1S/C9H10N2O2S/c12-14(13)10-8-3-1-2-4-9(8)11(14)7-5-6-7/h1-4,7,10H,5-6H2
InChIKey
CFAIHEBXDMMBRA-UHFFFAOYSA-N
Compound name
3-cyclopropyl-1H-2lambda6,1,3-benzothiadiazole 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.0463 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.053576 145.0
[M+Na]+ 233.035518 157.4
[M-H]- 209.039024 149.9
[M+NH4]+ 228.080123 161.1
[M+K]+ 249.009458 152.6
[M+H-H2O]+ 193.043560 139.4
[M+HCOO]- 255.044501 160.4
[M+CH3COO]- 269.060151 157.7
[M+Na-2H]- 231.020966 149.0
[M]+ 210.04575142 148.3
[M]- 210.04684858 148.3
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.