CID 788546

L-serine, n-[(4-chlorophenyl)sulfonyl]-

Structural Information

Molecular Formula
C9H10ClNO5S
SMILES
C1=CC(=CC=C1S(=O)(=O)N[C@@H](CO)C(=O)O)Cl
InChI
InChI=1S/C9H10ClNO5S/c10-6-1-3-7(4-2-6)17(15,16)11-8(5-12)9(13)14/h1-4,8,11-12H,5H2,(H,13,14)/t8-/m0/s1
InChIKey
IURIKCONOHHESK-QMMMGPOBSA-N
Compound name
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

278.99683 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.00411 153.3
[M+Na]+ 301.98605 160.3
[M-H]- 277.98955 154.6
[M+NH4]+ 297.03065 168.6
[M+K]+ 317.95999 156.1
[M+H-H2O]+ 261.99409 148.9
[M+HCOO]- 323.99503 164.1
[M+CH3COO]- 338.01068 190.1
[M+Na-2H]- 299.97150 156.0
[M]+ 278.99628 156.5
[M]- 278.99738 156.5
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.