CID 3386526

3-butenyl chloroformate

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 123.0
[M+Na]+ 157.00268 134.4
[M+NH4]+ 152.04728 131.1
[M+K]+ 172.97662 128.6
[M-H]- 133.00618 122.0
[M+Na-2H]- 154.98813 127.2
[M]+ 134.01291 124.4
[M]- 134.01401 124.4
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