CID 137698568

Ethyl 4-chloro-1h,1ah,6h,6ah-cyclopropa[a]indene-1-carboxylate

Structural Information

Molecular Formula
C13H13ClO2
SMILES
CCOC(=O)C1C2C1C3=C(C2)C=C(C=C3)Cl
InChI
InChI=1S/C13H13ClO2/c1-2-16-13(15)12-10-6-7-5-8(14)3-4-9(7)11(10)12/h3-5,10-12H,2,6H2,1H3
InChIKey
ZQDYBKBOQXPBCK-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.06041 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.06769 150.1
[M+Na]+ 259.04963 162.2
[M-H]- 235.05313 156.3
[M+NH4]+ 254.09423 168.2
[M+K]+ 275.02357 156.2
[M+H-H2O]+ 219.05767 145.6
[M+HCOO]- 281.05861 167.1
[M+CH3COO]- 295.07426 194.6
[M+Na-2H]- 257.03508 153.9
[M]+ 236.05986 157.5
[M]- 236.06096 157.5
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.