CID 22499337

Oxan-4-yl chloroformate

Structural Information

Molecular Formula
C6H9ClO3
SMILES
C1COCCC1OC(=O)Cl
InChI
InChI=1S/C6H9ClO3/c7-6(8)10-5-1-3-9-4-2-5/h5H,1-4H2
InChIKey
LXPXWKCKQMBYBS-UHFFFAOYSA-N
Compound name
oxan-4-yl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

221
Patents

164.02402 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03130 129.8
[M+Na]+ 187.01324 136.2
[M-H]- 163.01674 133.5
[M+NH4]+ 182.05784 149.7
[M+K]+ 202.98718 136.1
[M+H-H2O]+ 147.02128 125.4
[M+HCOO]- 209.02222 145.5
[M+CH3COO]- 223.03787 172.6
[M+Na-2H]- 184.99869 136.1
[M]+ 164.02347 129.8
[M]- 164.02457 129.8
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