CID 16767489

3-(chloromethyl)tetrahydro-2h-pyran

Structural Information

Molecular Formula
C6H11ClO
SMILES
C1CC(COC1)CCl
InChI
InChI=1S/C6H11ClO/c7-4-6-2-1-3-8-5-6/h6H,1-5H2
InChIKey
WLUAIDDBBCAIDY-UHFFFAOYSA-N
Compound name
3-(chloromethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

134.04984 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05712 125.4
[M+Na]+ 157.03906 131.6
[M-H]- 133.04256 128.8
[M+NH4]+ 152.08366 146.6
[M+K]+ 173.01300 130.7
[M+H-H2O]+ 117.04710 121.1
[M+HCOO]- 179.04804 141.2
[M+CH3COO]- 193.06369 169.2
[M+Na-2H]- 155.02451 132.7
[M]+ 134.04929 123.7
[M]- 134.05039 123.7
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.

Patent stripe

patents stripe