CID 5423976

6-chloro-4-(chloromethyl)-7-hydroxy-2h-chromen-2-one

Structural Information

Molecular Formula
C10H6Cl2O3
SMILES
C1=C(C2=CC(=C(C=C2OC1=O)O)Cl)CCl
InChI
InChI=1S/C10H6Cl2O3/c11-4-5-1-10(14)15-9-3-8(13)7(12)2-6(5)9/h1-3,13H,4H2
InChIKey
UPZNLSFVNVBNBT-UHFFFAOYSA-N
Compound name
6-chloro-4-(chloromethyl)-7-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

243.9694 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.97668 143.1
[M+Na]+ 266.95862 160.2
[M+NH4]+ 262.00322 152.4
[M+K]+ 282.93256 152.6
[M-H]- 242.96212 146.9
[M+Na-2H]- 264.94407 150.0
[M]+ 243.96885 147.4
[M]- 243.96995 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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