CID 15725402

34907-81-8

Structural Information

Molecular Formula
C3HCl3O
SMILES
C(=C(/C(=O)Cl)\Cl)\Cl
InChI
InChI=1S/C3HCl3O/c4-1-2(5)3(6)7/h1H/b2-1-
InChIKey
RBCCLWUFGUGGFY-UPHRSURJSA-N
Compound name
(Z)-2,3-dichloroprop-2-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

91
Patents

157.9093 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.916576 122.1
[M+Na]+ 180.898518 131.7
[M-H]- 156.902024 121.3
[M+NH4]+ 175.943123 143.9
[M+K]+ 196.872458 127.3
[M+H-H2O]+ 140.906560 121.1
[M+HCOO]- 202.907501 130.6
[M+CH3COO]- 216.923151 174.3
[M+Na-2H]- 178.883966 126.3
[M]+ 157.90875142 123.4
[M]- 157.90984858 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

literature stripe

Patent stripe

patents stripe