CID 14926752

1-(chloromethyl)bicyclo[1.1.1]pentane

Structural Information

Molecular Formula
C6H9Cl
SMILES
C1C2CC1(C2)CCl
InChI
InChI=1S/C6H9Cl/c7-4-6-1-5(2-6)3-6/h5H,1-4H2
InChIKey
QOHOEFFTETZUGD-UHFFFAOYSA-N
Compound name
1-(chloromethyl)bicyclo[1.1.1]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 124.4
[M+Na]+ 139.02849 130.9
[M-H]- 115.03200 127.9
[M+NH4]+ 134.07310 132.5
[M+K]+ 155.00243 135.0
[M+H-H2O]+ 99.036536 113.2
[M+HCOO]- 161.03748 136.1
[M+CH3COO]- 175.05313 200.5
[M+Na-2H]- 137.01394 133.5
[M]+ 116.03873 150.0
[M]- 116.03982 150.0
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