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 152.6
[M+Na]+ 284.01186 159.3
[M-H]- 260.01536 155.1
[M+NH4]+ 279.05646 169.6
[M+K]+ 299.98580 155.1
[M+H-H2O]+ 244.01990 147.7
[M+HCOO]- 306.02084 164.5
[M+CH3COO]- 320.03649 191.8
[M+Na-2H]- 281.99731 152.8
[M]+ 261.02209 155.8
[M]- 261.02319 155.8
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