CID 78705

Cyclobutanecarbonyl chloride

Structural Information

Molecular Formula
C5H7ClO
SMILES
C1CC(C1)C(=O)Cl
InChI
InChI=1S/C5H7ClO/c6-5(7)4-2-1-3-4/h4H,1-3H2
InChIKey
JFWMYCVMQSLLOO-UHFFFAOYSA-N
Compound name
cyclobutanecarbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4558
Patents

118.01854 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.02582 115.9
[M+Na]+ 141.00776 123.4
[M+NH4]+ 136.05236 121.5
[M+K]+ 156.98170 119.7
[M-H]- 117.01126 114.6
[M+Na-2H]- 138.99321 119.6
[M]+ 118.01799 115.6
[M]- 118.01909 115.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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