CID 165761510

2,2-dichloro-3-(methoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C8H8Cl2O4
SMILES
COC(=O)C12CC(C1)(C2(Cl)Cl)C(=O)O
InChI
InChI=1S/C8H8Cl2O4/c1-14-5(13)7-2-6(3-7,4(11)12)8(7,9)10/h2-3H2,1H3,(H,11,12)
InChIKey
NNTFRCCVFMISRS-UHFFFAOYSA-N
Compound name
2,2-dichloro-3-methoxycarbonylbicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.97997 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.98725 152.4
[M+Na]+ 260.96919 158.8
[M-H]- 236.97269 154.5
[M+NH4]+ 256.01379 159.1
[M+K]+ 276.94313 161.4
[M+H-H2O]+ 220.97723 144.4
[M+HCOO]- 282.97817 157.5
[M+CH3COO]- 296.99382 212.0
[M+Na-2H]- 258.95464 158.3
[M]+ 237.97942 180.1
[M]- 237.98052 180.1
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.