CID 7567549

138182-20-4

Structural Information

Molecular Formula
C14H14ClNO7
SMILES
C1=CC2=C(C=C1Cl)NC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChI
InChI=1S/C14H14ClNO7/c15-5-1-2-6-7(3-5)16-4-8(6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-4,9-12,14,16-19H,(H,20,21)/t9-,10-,11+,12-,14+/m0/s1
InChIKey
UFBPRKNLSYGHJJ-BYNIDDHOSA-N
Compound name
(2S,3S,4S,5R,6S)-6-[(6-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

164
Patents

343.04587 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.05315 171.6
[M+Na]+ 366.03509 182.3
[M+NH4]+ 361.07969 176.2
[M+K]+ 382.00903 181.8
[M-H]- 342.03859 172.0
[M+Na-2H]- 364.02054 172.3
[M]+ 343.04532 173.1
[M]- 343.04642 173.1
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