CID 3011610

Ftcri

Structural Information

Molecular Formula
C14H12Cl3NO5
SMILES
C1=C2C(=CC(=C1Cl)Cl)N(C(=C2C=O)Cl)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C14H12Cl3NO5/c15-7-1-5-6(3-19)13(17)18(9(5)2-8(7)16)14-12(22)11(21)10(4-20)23-14/h1-3,10-12,14,20-22H,4H2/t10-,11-,12-,14-/m1/s1
InChIKey
QJLFDUROSXZMQK-HKUMRIAESA-N
Compound name
2,5,6-trichloro-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

13
Patents

378.97812 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.98540 179.9
[M+Na]+ 401.96734 192.6
[M-H]- 377.97084 183.2
[M+NH4]+ 397.01194 194.4
[M+K]+ 417.94128 186.5
[M+H-H2O]+ 361.97538 176.9
[M+HCOO]- 423.97632 183.2
[M+CH3COO]- 437.99197 208.3
[M+Na-2H]- 399.95279 176.8
[M]+ 378.97757 186.3
[M]- 378.97867 186.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe