CID 30608

2-chloroprop-2-enoyl chloride

Structural Information

Molecular Formula
C3H2Cl2O
SMILES
C=C(C(=O)Cl)Cl
InChI
InChI=1S/C3H2Cl2O/c1-2(4)3(5)6/h1H2
InChIKey
XOTUAMWIFRDGMZ-UHFFFAOYSA-N
Compound name
2-chloroprop-2-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

437
Patents

123.94827 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.95555 115.5
[M+Na]+ 146.93749 125.2
[M-H]- 122.94099 115.8
[M+NH4]+ 141.98209 138.9
[M+K]+ 162.91143 122.0
[M+H-H2O]+ 106.94553 113.9
[M+HCOO]- 168.94647 129.5
[M+CH3COO]- 182.96212 169.0
[M+Na-2H]- 144.92294 120.9
[M]+ 123.94772 117.1
[M]- 123.94882 117.1
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