CID 155822058

Tert-butyl 2-tert-butyl-4,4-dichlorobut-3-enoate

Structural Information

Molecular Formula
C12H20Cl2O2
SMILES
CC(C)(C)C(C=C(Cl)Cl)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H20Cl2O2/c1-11(2,3)8(7-9(13)14)10(15)16-12(4,5)6/h7-8H,1-6H3
InChIKey
BBYIHFRKRAXTBG-UHFFFAOYSA-N
Compound name
tert-butyl 2-tert-butyl-4,4-dichlorobut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.08405 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09133 156.8
[M+Na]+ 289.07327 164.0
[M-H]- 265.07677 157.0
[M+NH4]+ 284.11787 175.4
[M+K]+ 305.04721 160.3
[M+H-H2O]+ 249.08131 154.8
[M+HCOO]- 311.08225 164.5
[M+CH3COO]- 325.09790 196.2
[M+Na-2H]- 287.05872 158.2
[M]+ 266.08350 161.7
[M]- 266.08460 161.7
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.