CID 123330441

4-(chloromethyl)oxane-4-carbaldehyde

Structural Information

Molecular Formula
C7H11ClO2
SMILES
C1COCCC1(CCl)C=O
InChI
InChI=1S/C7H11ClO2/c8-5-7(6-9)1-3-10-4-2-7/h6H,1-5H2
InChIKey
DEJKSHBYUDKLRO-UHFFFAOYSA-N
Compound name
4-(chloromethyl)oxane-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

162.04475 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.052026 130.4
[M+Na]+ 185.033968 137.4
[M-H]- 161.037474 134.1
[M+NH4]+ 180.078573 152.4
[M+K]+ 201.007908 136.4
[M+H-H2O]+ 145.042010 126.7
[M+HCOO]- 207.042951 146.5
[M+CH3COO]- 221.058601 172.9
[M+Na-2H]- 183.019416 138.4
[M]+ 162.04420142 130.2
[M]- 162.04529858 130.2
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