CID 6433337

1,2,4-trichloro-2-butene

Structural Information

Molecular Formula
C4H5Cl3
SMILES
C(/C=C(/CCl)\Cl)Cl
InChI
InChI=1S/C4H5Cl3/c5-2-1-4(7)3-6/h1H,2-3H2/b4-1-
InChIKey
SXCATGXBSQWDDJ-RJRFIUFISA-N
Compound name
(Z)-1,2,4-trichlorobut-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

157.94568 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.95296 126.2
[M+Na]+ 180.93490 135.2
[M-H]- 156.93840 124.9
[M+NH4]+ 175.97950 148.0
[M+K]+ 196.90884 130.4
[M+H-H2O]+ 140.94294 124.7
[M+HCOO]- 202.94388 134.7
[M+CH3COO]- 216.95953 175.5
[M+Na-2H]- 178.92035 130.8
[M]+ 157.94513 127.5
[M]- 157.94623 127.5
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