CID 3042505

Glucose, 2-deoxy-2-(chloroacetamido)-, d-

Structural Information

Molecular Formula
C8H14ClNO6
SMILES
C([C@H]([C@H]([C@@H]([C@H](C=O)NC(=O)CCl)O)O)O)O
InChI
InChI=1S/C8H14ClNO6/c9-1-6(14)10-4(2-11)7(15)8(16)5(13)3-12/h2,4-5,7-8,12-13,15-16H,1,3H2,(H,10,14)/t4-,5+,7+,8+/m0/s1
InChIKey
IUJFUANKDINYAJ-LRSZDJBLSA-N
Compound name
2-chloro-N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

255.05096 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.05824 151.5
[M+Na]+ 278.04018 155.3
[M-H]- 254.04368 146.1
[M+NH4]+ 273.08478 165.7
[M+K]+ 294.01412 153.4
[M+H-H2O]+ 238.04822 147.7
[M+HCOO]- 300.04916 162.4
[M+CH3COO]- 314.06481 186.9
[M+Na-2H]- 276.02563 149.5
[M]+ 255.05041 151.1
[M]- 255.05151 151.1
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