CID 24726

Trans-1,3-dichloropropene

Structural Information

Molecular Formula
C3H4Cl2
SMILES
C(/C=C/Cl)Cl
InChI
InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+
InChIKey
UOORRWUZONOOLO-OWOJBTEDSA-N
Compound name
(E)-1,3-dichloroprop-1-ene
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

301
References

21073
Patents

109.969 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.97628 115.1
[M+Na]+ 132.95822 124.9
[M-H]- 108.96172 115.0
[M+NH4]+ 128.00282 139.2
[M+K]+ 148.93216 121.2
[M+H-H2O]+ 92.966260 113.2
[M+HCOO]- 154.96720 130.3
[M+CH3COO]- 168.98285 165.8
[M+Na-2H]- 130.94367 122.7
[M]+ 109.96845 116.8
[M]- 109.96955 116.8
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