CID 3049619

Crl 40,466

Structural Information

Molecular Formula
C10H12ClNO3S
SMILES
CC(C(=O)NO)S(=O)CC1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H12ClNO3S/c1-7(10(13)12-14)16(15)6-8-2-4-9(11)5-3-8/h2-5,7,14H,6H2,1H3,(H,12,13)
InChIKey
WKNGSHDYRAWYOE-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxypropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

261.02264 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.02992 154.4
[M+Na]+ 284.01186 164.3
[M+NH4]+ 279.05646 161.4
[M+K]+ 299.98580 157.9
[M-H]- 260.01536 154.9
[M+Na-2H]- 281.99731 158.4
[M]+ 261.02209 156.4
[M]- 261.02319 156.4
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