CID 2776123

3-furoyl chloride

Structural Information

Molecular Formula
C5H3ClO2
SMILES
C1=COC=C1C(=O)Cl
InChI
InChI=1S/C5H3ClO2/c6-5(7)4-1-2-8-3-4/h1-3H
InChIKey
BTUIFMCWPFMNRG-UHFFFAOYSA-N
Compound name
furan-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

871
Patents

129.98216 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.98944 120.0
[M+Na]+ 152.97138 129.8
[M-H]- 128.97488 124.6
[M+NH4]+ 148.01598 143.2
[M+K]+ 168.94532 128.8
[M+H-H2O]+ 112.97942 116.2
[M+HCOO]- 174.98036 140.6
[M+CH3COO]- 188.99601 167.2
[M+Na-2H]- 150.95683 127.3
[M]+ 129.98161 123.1
[M]- 129.98271 123.1
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

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