CID 176891

3-pentenoyl chloride

Structural Information

Molecular Formula
C5H7ClO
SMILES
CC=CCC(=O)Cl
InChI
InChI=1S/C5H7ClO/c1-2-3-4-5(6)7/h2-3H,4H2,1H3
InChIKey
OFTVOOGSAIOBAR-UHFFFAOYSA-N
Compound name
pent-3-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

118.01854 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.02582 119.8
[M+Na]+ 141.00776 128.7
[M-H]- 117.01126 120.4
[M+NH4]+ 136.05236 143.4
[M+K]+ 156.98170 126.4
[M+H-H2O]+ 101.01580 116.9
[M+HCOO]- 163.01674 139.1
[M+CH3COO]- 177.03239 168.4
[M+Na-2H]- 138.99321 126.0
[M]+ 118.01799 121.8
[M]- 118.01909 121.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe