CID 118952433

Schembl17599072

Structural Information

Molecular Formula

SMILES

C1CC(C1)(C=O)Cl

InChI

InChI=1S/C5H7ClO/c6-5(4-7)2-1-3-5/h4H,1-3H2

InChIKey

YVJQVHFFHIITFN-UHFFFAOYSA-N

Compound name

1-chlorocyclobutane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 118.01854 Da
Monoisotopic Mass: 1.0
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]+	119.02582	115.3
[M+Na]+	141.00776	123.3
[M+NH4]+	136.05236	122.4
[M+K]+	156.98170	117.3
[M-H]-	117.01126	114.3
[M+Na-2H]-	138.99321	120.9
[M]+	118.01799	115.4
[M]-	118.01909	115.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe