CID 15447

2,3-dichloro-1,3-butadiene

Structural Information

Molecular Formula
C4H4Cl2
SMILES
C=C(C(=C)Cl)Cl
InChI
InChI=1S/C4H4Cl2/c1-3(5)4(2)6/h1-2H2
InChIKey
LIFLRQVHKGGNSG-UHFFFAOYSA-N
Compound name
2,3-dichlorobuta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

5468
Patents

121.969 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.97628 117.6
[M+Na]+ 144.95822 126.8
[M-H]- 120.96172 117.7
[M+NH4]+ 140.00282 141.0
[M+K]+ 160.93216 122.9
[M+H-H2O]+ 104.96626 115.8
[M+HCOO]- 166.96720 130.9
[M+CH3COO]- 180.98285 170.1
[M+Na-2H]- 142.94367 122.3
[M]+ 121.96845 118.0
[M]- 121.96955 118.0
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