CID 95220

2-(chloromethyl)-2-methyloxirane

Structural Information

Molecular Formula
C4H7ClO
SMILES
CC1(CO1)CCl
InChI
InChI=1S/C4H7ClO/c1-4(2-5)3-6-4/h2-3H2,1H3
InChIKey
VVHFXJOCUKBZFS-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-2-methyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4545
Patents

106.01854 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.02582 115.6
[M+Na]+ 129.00776 126.7
[M-H]- 105.01126 121.4
[M+NH4]+ 124.05236 135.3
[M+K]+ 144.98170 126.5
[M+H-H2O]+ 89.015800 112.1
[M+HCOO]- 151.01674 134.8
[M+CH3COO]- 165.03239 169.0
[M+Na-2H]- 126.99321 126.0
[M]+ 106.01799 121.2
[M]- 106.01909 121.2
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

No patent data available for this compound.