CID 5743496

7530-05-4

Structural Information

Molecular Formula
C4H7ClO
SMILES
CC1C(O1)CCl
InChI
InChI=1S/C4H7ClO/c1-3-4(2-5)6-3/h3-4H,2H2,1H3
InChIKey
MMTOSBCMFDNOIY-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-3-methyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

856
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 115.6
[M+Na]+ 129.00776 126.9
[M-H]- 105.01126 121.3
[M+NH4]+ 124.05236 133.7
[M+K]+ 144.98170 125.7
[M+H-H2O]+ 89.015800 111.1
[M+HCOO]- 151.01674 135.0
[M+CH3COO]- 165.03239 170.5
[M+Na-2H]- 126.99321 124.3
[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

patents stripe