CID 10920765

63485-67-6

Structural Information

Molecular Formula
C7H5ClO2
SMILES
C1=COC(=C1)/C=C/C(=O)Cl
InChI
InChI=1S/C7H5ClO2/c8-7(9)4-3-6-2-1-5-10-6/h1-5H/b4-3+
InChIKey
IMRILMSKMWAKCC-ONEGZZNKSA-N
Compound name
(E)-3-(furan-2-yl)prop-2-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

155.9978 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.00508 128.9
[M+Na]+ 178.98702 138.2
[M-H]- 154.99052 133.2
[M+NH4]+ 174.03162 151.0
[M+K]+ 194.96096 136.1
[M+H-H2O]+ 138.99506 124.7
[M+HCOO]- 200.99600 149.0
[M+CH3COO]- 215.01165 171.6
[M+Na-2H]- 176.97247 135.0
[M]+ 155.99725 131.9
[M]- 155.99835 131.9
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