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

5167
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

literature stripe

Patent stripe

patents stripe