CID 99495

Thiobenzamide s-oxide

Structural Information

Molecular Formula
C7H7NOS
SMILES
C1=CC=C(C=C1)C(=S=O)N
InChI
InChI=1S/C7H7NOS/c8-7(10-9)6-4-2-1-3-5-6/h1-5H,8H2
InChIKey
GZEKDPVRFJUKQC-UHFFFAOYSA-N
Compound name
phenyl(sulfinyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

153.02484 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.03212 129.1
[M+Na]+ 176.01406 140.5
[M+NH4]+ 171.05866 138.0
[M+K]+ 191.98800 132.6
[M-H]- 152.01756 131.6
[M+Na-2H]- 173.99951 135.6
[M]+ 153.02429 131.7
[M]- 153.02539 131.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.