CID 70712

Chlorocyclobutane

Structural Information

Molecular Formula
C4H7Cl
SMILES
C1CC(C1)Cl
InChI
InChI=1S/C4H7Cl/c5-4-2-1-3-4/h4H,1-3H2
InChIKey
STJYMUBZVMSMBP-UHFFFAOYSA-N
Compound name
chlorocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1139
Patents

90.02363 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.030906 107.0
[M+Na]+ 113.012848 114.8
[M-H]- 89.016354 110.7
[M+NH4]+ 108.057453 125.3
[M+K]+ 128.986788 115.7
[M+H-H2O]+ 73.020890 99.3
[M+HCOO]- 135.021831 125.7
[M+CH3COO]- 149.037481 167.2
[M+Na-2H]- 110.998296 115.3
[M]+ 90.02308142 115.2
[M]- 90.02417858 115.2
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