CID 22041944

2-(chloromethyl)oxetane

Structural Information

Molecular Formula
C4H7ClO
SMILES
C1COC1CCl
InChI
InChI=1S/C4H7ClO/c5-3-4-1-2-6-4/h4H,1-3H2
InChIKey
MTJUELTVQKBEPR-UHFFFAOYSA-N
Compound name
2-(chloromethyl)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1314
Patents

106.01854 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.02582 108.2
[M+Na]+ 129.00776 115.7
[M-H]- 105.01126 112.4
[M+NH4]+ 124.05236 124.5
[M+K]+ 144.98170 118.2
[M+H-H2O]+ 89.015800 100.2
[M+HCOO]- 151.01674 126.2
[M+CH3COO]- 165.03239 168.8
[M+Na-2H]- 126.99321 117.6
[M]+ 106.01799 118.4
[M]- 106.01909 118.4
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