CID 137944233

1-(chloromethyl)-3-methylidenecyclobutane

Structural Information

Molecular Formula
C6H9Cl
SMILES
C=C1CC(C1)CCl
InChI
InChI=1S/C6H9Cl/c1-5-2-6(3-5)4-7/h6H,1-4H2
InChIKey
ZWHYJCFDFNJUAV-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-3-methylidenecyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

116.039276 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.04655 115.3
[M+Na]+ 139.02849 123.4
[M-H]- 115.03200 119.0
[M+NH4]+ 134.07310 132.8
[M+K]+ 155.00243 123.2
[M+H-H2O]+ 99.036536 107.5
[M+HCOO]- 161.03748 133.4
[M+CH3COO]- 175.05313 173.1
[M+Na-2H]- 137.01394 121.8
[M]+ 116.03873 123.9
[M]- 116.03982 123.9
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.