CID 18150

Tetrahydrofurfuryl chloride

Structural Information

Molecular Formula
C5H9ClO
SMILES
C1CC(OC1)CCl
InChI
InChI=1S/C5H9ClO/c6-4-5-2-1-3-7-5/h5H,1-4H2
InChIKey
IVJLGIMHHWKRAN-UHFFFAOYSA-N
Compound name
2-(chloromethyl)oxolane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

636
Patents

120.034195 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.041471 122.4
[M+Na]+ 143.023413 130.0
[M-H]- 119.026919 126.0
[M+NH4]+ 138.068018 145.9
[M+K]+ 158.997353 129.1
[M+H-H2O]+ 103.031455 118.4
[M+HCOO]- 165.032396 140.5
[M+CH3COO]- 179.048046 166.0
[M+Na-2H]- 141.008861 128.8
[M]+ 120.03364642 122.3
[M]- 120.03474358 122.3
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

patents stripe