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

1024
Patents

106.01854 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.025816 115.6
[M+Na]+ 129.007758 126.9
[M-H]- 105.011264 121.3
[M+NH4]+ 124.052363 133.7
[M+K]+ 144.981698 125.7
[M+H-H2O]+ 89.015800 111.1
[M+HCOO]- 151.016741 135.0
[M+CH3COO]- 165.032391 170.5
[M+Na-2H]- 126.993206 124.3
[M]+ 106.01799142 121.2
[M]- 106.01908858 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