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]+ 147.020736 124.3
[M+Na]+ 169.002678 132.9
[M-H]- 145.006184 128.5
[M+NH4]+ 164.047283 145.3
[M+K]+ 184.976618 131.6
[M+H-H2O]+ 129.010720 120.2
[M+HCOO]- 191.011661 142.1
[M+CH3COO]- 205.027311 171.0
[M+Na-2H]- 166.988126 132.1
[M]+ 146.01291142 125.3
[M]- 146.01400858 125.3
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