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

4878
Patents

118.01854 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.025816 114.8
[M+Na]+ 141.007758 122.0
[M-H]- 117.011264 118.4
[M+NH4]+ 136.052363 131.7
[M+K]+ 156.981698 123.0
[M+H-H2O]+ 101.015800 106.6
[M+HCOO]- 163.016741 132.5
[M+CH3COO]- 177.032391 171.8
[M+Na-2H]- 138.993206 121.1
[M]+ 118.01799142 123.5
[M]- 118.01908858 123.5
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

patents stripe