CID 208314

31982-00-0

Structural Information

Molecular Formula
C11H14ClNO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)CCl
InChI
InChI=1S/C11H14ClNO3S/c1-8-3-5-10(6-4-8)17(15,16)13-9(2)11(14)7-12/h3-6,9,13H,7H2,1-2H3/t9-/m0/s1
InChIKey
IPACIBZWFYEXRK-VIFPVBQESA-N
Compound name
N-[(2S)-4-chloro-3-oxobutan-2-yl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.0383 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.04558 156.8
[M+Na]+ 298.02752 164.4
[M-H]- 274.03102 160.8
[M+NH4]+ 293.07212 174.0
[M+K]+ 314.00146 160.2
[M+H-H2O]+ 258.03556 151.9
[M+HCOO]- 320.03650 169.5
[M+CH3COO]- 334.05215 196.5
[M+Na-2H]- 296.01297 158.9
[M]+ 275.03775 161.7
[M]- 275.03885 161.7
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

No patent data available for this compound.