CID 62386193

863324-23-6

Structural Information

Molecular Formula
C6H11ClO
SMILES
C1COCCC1CCl
InChI
InChI=1S/C6H11ClO/c7-5-6-1-3-8-4-2-6/h6H,1-5H2
InChIKey
DULFMEBLCDFSDB-UHFFFAOYSA-N
Compound name
4-(chloromethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

134.04984 Da
Monoisotopic Mass

1.4
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

No literature data available for this compound.

Patent stripe

patents stripe