CID 3386526

But-3-en-1-yl carbonochloridate

Structural Information

Molecular Formula
C5H7ClO2
SMILES
C=CCCOC(=O)Cl
InChI
InChI=1S/C5H7ClO2/c1-2-3-4-8-5(6)7/h2H,1,3-4H2
InChIKey
KLDLHTWQLPMOGM-UHFFFAOYSA-N
Compound name
but-3-enyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

259
Patents

134.01346 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.02074 122.6
[M+Na]+ 157.00268 131.5
[M-H]- 133.00618 123.2
[M+NH4]+ 152.04728 145.5
[M+K]+ 172.97662 129.6
[M+H-H2O]+ 117.01072 119.5
[M+HCOO]- 179.01166 142.2
[M+CH3COO]- 193.02731 170.4
[M+Na-2H]- 154.98813 128.8
[M]+ 134.01291 126.1
[M]- 134.01401 126.1
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