CID 10396911

4-chlorobut-2-enoyl chloride

Structural Information

Molecular Formula
C4H4Cl2O
SMILES
C(/C=C/C(=O)Cl)Cl
InChI
InChI=1S/C4H4Cl2O/c5-3-1-2-4(6)7/h1-2H,3H2/b2-1+
InChIKey
KBQPIDSATRHKJR-OWOJBTEDSA-N
Compound name
(E)-4-chlorobut-2-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

222
Patents

137.96391 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.971186 121.0
[M+Na]+ 160.953128 130.6
[M-H]- 136.956634 121.0
[M+NH4]+ 155.997733 143.9
[M+K]+ 176.927068 126.7
[M+H-H2O]+ 120.961170 119.0
[M+HCOO]- 182.962111 135.5
[M+CH3COO]- 196.977761 170.4
[M+Na-2H]- 158.938576 126.9
[M]+ 137.96336142 123.4
[M]- 137.96445858 123.4
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