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 142.7
[M+Na]+ 183.01833 148.2
[M-H]- 159.02183 145.1
[M+NH4]+ 178.06293 149.9
[M+K]+ 198.99227 151.9
[M+H-H2O]+ 143.02637 132.1
[M+HCOO]- 205.02731 152.1
[M+CH3COO]- 219.04296 203.3
[M+Na-2H]- 181.00378 149.7
[M]+ 160.02856 168.4
[M]- 160.02966 168.4
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.