CID 118952433

1-chlorocyclobutane-1-carbaldehyde

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]+ 119.025816 114.1
[M+Na]+ 141.007758 122.4
[M-H]- 117.011264 118.1
[M+NH4]+ 136.052363 133.1
[M+K]+ 156.981698 123.0
[M+H-H2O]+ 101.015800 107.3
[M+HCOO]- 163.016741 132.9
[M+CH3COO]- 177.032391 170.6
[M+Na-2H]- 138.993206 122.8
[M]+ 118.01799142 123.7
[M]- 118.01908858 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