CID 2757916

17447-35-7

Structural Information

Molecular Formula
C10H10ClNO5
SMILES
C1=CC(=CC=C1NC(=O)[C@@H]([C@H](C(=O)O)O)O)Cl
InChI
InChI=1S/C10H10ClNO5/c11-5-1-3-6(4-2-5)12-9(15)7(13)8(14)10(16)17/h1-4,7-8,13-14H,(H,12,15)(H,16,17)/t7-,8-/m1/s1
InChIKey
JLBJYGCSAOHRPK-HTQZYQBOSA-N
Compound name
(2R,3R)-4-(4-chloroanilino)-2,3-dihydroxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

259.02475 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.03203 152.4
[M+Na]+ 282.01397 160.7
[M+NH4]+ 277.05857 157.2
[M+K]+ 297.98791 158.9
[M-H]- 258.01747 150.5
[M+Na-2H]- 279.99942 154.7
[M]+ 259.02420 152.7
[M]- 259.02530 152.7
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

patents stripe