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]+ 163.05203 130.4
[M+Na]+ 185.03397 137.4
[M-H]- 161.03747 134.1
[M+NH4]+ 180.07857 152.4
[M+K]+ 201.00791 136.4
[M+H-H2O]+ 145.04201 126.7
[M+HCOO]- 207.04295 146.5
[M+CH3COO]- 221.05860 172.9
[M+Na-2H]- 183.01942 138.4
[M]+ 162.04420 130.2
[M]- 162.04530 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