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 155.1
[M+Na]+ 286.05082 161.6
[M-H]- 262.05432 158.1
[M+NH4]+ 281.09542 172.1
[M+K]+ 302.02476 157.6
[M+H-H2O]+ 246.05886 148.7
[M+HCOO]- 308.05980 171.5
[M+CH3COO]- 322.07545 193.7
[M+Na-2H]- 284.03627 159.0
[M]+ 263.06105 156.9
[M]- 263.06215 156.9
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