CID 165913812

En300-26861248

Structural Information

Molecular Formula
C7H7ClO3
SMILES
C1CC(=O)[C@H]2[C@@H]1[C@@]2(C(=O)O)Cl
InChI
InChI=1S/C7H7ClO3/c8-7(6(10)11)3-1-2-4(9)5(3)7/h3,5H,1-2H2,(H,10,11)/t3-,5-,7-/m1/s1
InChIKey
VLSAADBJAIZLKV-HGWBJXFBSA-N
Compound name
(1R,5R,6R)-6-chloro-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.00838 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01566 131.3
[M+Na]+ 196.99760 143.2
[M-H]- 173.00110 135.8
[M+NH4]+ 192.04220 151.6
[M+K]+ 212.97154 138.9
[M+H-H2O]+ 157.00564 129.1
[M+HCOO]- 219.00658 147.6
[M+CH3COO]- 233.02223 178.0
[M+Na-2H]- 194.98305 136.2
[M]+ 174.00783 135.5
[M]- 174.00893 135.5
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.