CID 2772079

5-phenylfuran-2-carbonyl chloride

Structural Information

Molecular Formula
C11H7ClO2
SMILES
C1=CC=C(C=C1)C2=CC=C(O2)C(=O)Cl
InChI
InChI=1S/C11H7ClO2/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H
InChIKey
YUCYPPIIPWVJMM-UHFFFAOYSA-N
Compound name
5-phenylfuran-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

206.01346 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.02074 140.9
[M+Na]+ 229.00268 150.6
[M-H]- 205.00618 148.7
[M+NH4]+ 224.04728 161.1
[M+K]+ 244.97662 147.6
[M+H-H2O]+ 189.01072 135.6
[M+HCOO]- 251.01166 161.2
[M+CH3COO]- 265.02731 181.9
[M+Na-2H]- 226.98813 146.5
[M]+ 206.01291 144.4
[M]- 206.01401 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe