CID 3775825

379255-08-0

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]+ 243.02565 153.0
[M+Na]+ 265.00759 162.7
[M+NH4]+ 260.05219 160.6
[M+K]+ 280.98153 153.9
[M-H]- 241.01109 155.3
[M+Na-2H]- 262.99304 158.3
[M]+ 242.01782 155.8
[M]- 242.01892 155.8
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.