CID 97738

2-(chloromethyl)tetrahydro-2h-pyran

Structural Information

Molecular Formula
C6H11ClO
SMILES
C1CCOC(C1)CCl
InChI
InChI=1S/C6H11ClO/c7-5-6-3-1-2-4-8-6/h6H,1-5H2
InChIKey
PPYKTTGONDVGPX-UHFFFAOYSA-N
Compound name
2-(chloromethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

134.04984 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.057116 125.4
[M+Na]+ 157.039058 131.6
[M-H]- 133.042564 128.8
[M+NH4]+ 152.083663 146.6
[M+K]+ 173.012998 130.7
[M+H-H2O]+ 117.047100 121.1
[M+HCOO]- 179.048041 141.2
[M+CH3COO]- 193.063691 169.2
[M+Na-2H]- 155.024506 132.7
[M]+ 134.04929142 123.7
[M]- 134.05038858 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

literature stripe

Patent stripe

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