CID 81604928

4-chloro-5,6-dihydro-2h-pyran-3-carboxylic acid

Structural Information

Molecular Formula
C6H7ClO3
SMILES
C1COCC(=C1Cl)C(=O)O
InChI
InChI=1S/C6H7ClO3/c7-5-1-2-10-3-4(5)6(8)9/h1-3H2,(H,8,9)
InChIKey
XJUOYDHZOSGHGV-UHFFFAOYSA-N
Compound name
4-chloro-3,6-dihydro-2H-pyran-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.00838 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.01566 127.7
[M+Na]+ 184.99760 135.6
[M-H]- 161.00110 130.6
[M+NH4]+ 180.04220 147.3
[M+K]+ 200.97154 134.3
[M+H-H2O]+ 145.00564 123.8
[M+HCOO]- 207.00658 143.3
[M+CH3COO]- 221.02223 171.4
[M+Na-2H]- 182.98305 133.8
[M]+ 162.00783 127.7
[M]- 162.00893 127.7
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.

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No patent data available for this compound.