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]+ 161.036386 142.7
[M+Na]+ 183.018328 148.2
[M-H]- 159.021834 145.1
[M+NH4]+ 178.062933 149.9
[M+K]+ 198.992268 151.9
[M+H-H2O]+ 143.026370 132.1
[M+HCOO]- 205.027311 152.1
[M+CH3COO]- 219.042961 203.3
[M+Na-2H]- 181.003776 149.7
[M]+ 160.02856142 168.4
[M]- 160.02965858 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.