CID 118952433

Refchem:431472

Structural Information

Molecular Formula
C5H7ClO
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

6
Patents

118.01854 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.02582 114.1
[M+Na]+ 141.00776 122.4
[M-H]- 117.01126 118.1
[M+NH4]+ 136.05236 133.1
[M+K]+ 156.98170 123.0
[M+H-H2O]+ 101.01580 107.3
[M+HCOO]- 163.01674 132.9
[M+CH3COO]- 177.03239 170.6
[M+Na-2H]- 138.99321 122.8
[M]+ 118.01799 123.7
[M]- 118.01909 123.7
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