CID 44151066

71989-91-8

Structural Information

Molecular Formula
C11H13ClO2
SMILES
C=C(C(=O)OCC1CC2CC1C=C2)Cl
InChI
InChI=1S/C11H13ClO2/c1-7(12)11(13)14-6-10-5-8-2-3-9(10)4-8/h2-3,8-10H,1,4-6H2
InChIKey
PFQSCQIOIBUJSC-UHFFFAOYSA-N
Compound name
2-bicyclo[2.2.1]hept-5-enylmethyl 2-chloroprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.06041 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.067686 151.3
[M+Na]+ 235.049628 159.1
[M-H]- 211.053134 154.0
[M+NH4]+ 230.094233 175.9
[M+K]+ 251.023568 155.2
[M+H-H2O]+ 195.057670 147.7
[M+HCOO]- 257.058611 167.5
[M+CH3COO]- 271.074261 185.4
[M+Na-2H]- 233.035076 151.8
[M]+ 212.05986142 153.5
[M]- 212.06095858 153.5
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.