CID 6434378

44912-54-1

Structural Information

Molecular Formula
C7H9ClO2
SMILES
C/C=C/C(=O)OCC(=C)Cl
InChI
InChI=1S/C7H9ClO2/c1-3-4-7(9)10-5-6(2)8/h3-4H,2,5H2,1H3/b4-3+
InChIKey
SGDUJTQUQYLRFH-ONEGZZNKSA-N
Compound name
2-chloroprop-2-enyl (E)-but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

160.02911 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.03639 130.6
[M+Na]+ 183.01833 138.9
[M-H]- 159.02183 131.1
[M+NH4]+ 178.06293 152.5
[M+K]+ 198.99227 136.2
[M+H-H2O]+ 143.02637 127.4
[M+HCOO]- 205.02731 148.9
[M+CH3COO]- 219.04296 175.6
[M+Na-2H]- 181.00378 134.5
[M]+ 160.02856 133.5
[M]- 160.02966 133.5
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

patents stripe