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

26
Patents

160.02911 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.036386 130.6
[M+Na]+ 183.018328 138.9
[M-H]- 159.021834 131.1
[M+NH4]+ 178.062933 152.5
[M+K]+ 198.992268 136.2
[M+H-H2O]+ 143.026370 127.4
[M+HCOO]- 205.027311 148.9
[M+CH3COO]- 219.042961 175.6
[M+Na-2H]- 181.003776 134.5
[M]+ 160.02856142 133.5
[M]- 160.02965858 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