CID 2798494

96543-75-8

Structural Information

Molecular Formula

C₁₀H₁₃ClO₂

SMILES

CC1=C(C=C(O1)C(C)(C)C)C(=O)Cl

InChI

InChI=1S/C10H13ClO2/c1-6-7(9(11)12)5-8(13-6)10(2,3)4/h5H,1-4H3

InChIKey

QWHLGIQXPRQHQN-UHFFFAOYSA-N

Compound name

5-tert-butyl-2-methylfuran-3-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 200.06041 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	201.06769	141.6
[M+Na]+	223.04963	151.7
[M-H]-	199.05313	146.6
[M+NH4]+	218.09423	162.9
[M+K]+	239.02357	149.8
[M+H-H2O]+	183.05767	138.2
[M+HCOO]-	245.05861	159.1
[M+CH3COO]-	259.07426	184.2
[M+Na-2H]-	221.03508	145.8
[M]+	200.05986	146.8
[M]-	200.06096	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe