CID 11108055

17447-41-5

Structural Information

Molecular Formula
C10H10ClNO5
SMILES
C1=CC=C(C(=C1)NC(=O)[C@H]([C@@H](C(=O)O)O)O)Cl
InChI
InChI=1S/C10H10ClNO5/c11-5-3-1-2-4-6(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-/m0/s1
InChIKey
HTYXHPJKEKGNAG-YUMQZZPRSA-N
Compound name
(2S,3S)-4-(2-chloroanilino)-2,3-dihydroxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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 150.8
[M+Na]+ 282.01397 156.5
[M-H]- 258.01747 150.6
[M+NH4]+ 277.05857 165.6
[M+K]+ 297.98791 153.6
[M+H-H2O]+ 242.02201 146.2
[M+HCOO]- 304.02295 164.7
[M+CH3COO]- 318.03860 188.8
[M+Na-2H]- 279.99942 151.5
[M]+ 259.02420 150.5
[M]- 259.02530 150.5
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

patents stripe