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

197
Patents

137.96391 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.97119 121.0
[M+Na]+ 160.95313 130.6
[M-H]- 136.95663 121.0
[M+NH4]+ 155.99773 143.9
[M+K]+ 176.92707 126.7
[M+H-H2O]+ 120.96117 119.0
[M+HCOO]- 182.96211 135.5
[M+CH3COO]- 196.97776 170.4
[M+Na-2H]- 158.93858 126.9
[M]+ 137.96336 123.4
[M]- 137.96446 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