CID 3049622

Crl 40,475

Structural Information

Molecular Formula
C13H13NO3S
SMILES
C1=CC=C2C(=C1)C=CC=C2CS(=O)CC(=O)NO
InChI
InChI=1S/C13H13NO3S/c15-13(14-16)9-18(17)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,16H,8-9H2,(H,14,15)
InChIKey
GPGSPHQIKPMPEM-UHFFFAOYSA-N
Compound name
N-hydroxy-2-(naphthalen-1-ylmethylsulfinyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

263.0616 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.06888 155.3
[M+Na]+ 286.05082 166.3
[M+NH4]+ 281.09542 163.1
[M+K]+ 302.02476 158.7
[M-H]- 262.05432 157.3
[M+Na-2H]- 284.03627 160.7
[M]+ 263.06105 157.7
[M]- 263.06215 157.7
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

patents stripe