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 128.3
[M+Na]+ 176.01406 136.2
[M-H]- 152.01756 131.8
[M+NH4]+ 171.05866 149.2
[M+K]+ 191.98800 133.0
[M+H-H2O]+ 136.02210 122.6
[M+HCOO]- 198.02304 148.1
[M+CH3COO]- 212.03869 173.7
[M+Na-2H]- 173.99951 132.2
[M]+ 153.02429 127.1
[M]- 153.02539 127.1
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.