CID 11355554

135999-61-0

Structural Information

Molecular Formula
C6H7ClO2
SMILES
C1C=CC(=O)O[C@@H]1CCl
InChI
InChI=1S/C6H7ClO2/c7-4-5-2-1-3-6(8)9-5/h1,3,5H,2,4H2/t5-/m0/s1
InChIKey
NVMBKTXDBXNDQK-YFKPBYRVSA-N
Compound name
(2S)-2-(chloromethyl)-2,3-dihydropyran-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

146.01346 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.02074 123.9
[M+Na]+ 169.00268 137.4
[M+NH4]+ 164.04728 133.3
[M+K]+ 184.97662 131.1
[M-H]- 145.00618 127.3
[M+Na-2H]- 166.98813 130.3
[M]+ 146.01291 127.0
[M]- 146.01401 127.0
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