CID 155971002

3-(chloromethyl)bicyclo[1.1.1]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C7H9ClO2
SMILES
C1C2(CC1(C2)C(=O)O)CCl
InChI
InChI=1S/C7H9ClO2/c8-4-6-1-7(2-6,3-6)5(9)10/h1-4H2,(H,9,10)
InChIKey
JZQHEGGQZQXYBV-UHFFFAOYSA-N
Compound name
3-(chloromethyl)bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.02911 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.03639 138.9
[M+Na]+ 183.01833 136.9
[M+NH4]+ 178.06293 139.2
[M+K]+ 198.99227 134.7
[M-H]- 159.02183 131.6
[M+Na-2H]- 181.00378 136.0
[M]+ 160.02856 134.2
[M]- 160.02966 134.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.