CID 3775825

3-isothiocyanato-n,n-dimethylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C9H10N2O2S2
SMILES
CN(C)S(=O)(=O)C1=CC=CC(=C1)N=C=S
InChI
InChI=1S/C9H10N2O2S2/c1-11(2)15(12,13)9-5-3-4-8(6-9)10-7-14/h3-6H,1-2H3
InChIKey
ZTLVXVCTSKNVJA-UHFFFAOYSA-N
Compound name
3-isothiocyanato-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.01837 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.025646 150.5
[M+Na]+ 265.007588 158.7
[M-H]- 241.011094 156.7
[M+NH4]+ 260.052193 169.1
[M+K]+ 280.981528 154.8
[M+H-H2O]+ 225.015630 143.4
[M+HCOO]- 287.016571 167.0
[M+CH3COO]- 301.032221 196.9
[M+Na-2H]- 262.993036 153.9
[M]+ 242.01782142 154.3
[M]- 242.01891858 154.3
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.