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]+ 243.02565 150.5
[M+Na]+ 265.00759 158.7
[M-H]- 241.01109 156.7
[M+NH4]+ 260.05219 169.1
[M+K]+ 280.98153 154.8
[M+H-H2O]+ 225.01563 143.4
[M+HCOO]- 287.01657 167.0
[M+CH3COO]- 301.03222 196.9
[M+Na-2H]- 262.99304 153.9
[M]+ 242.01782 154.3
[M]- 242.01892 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.