CID 126971041

1-chloro-3-(trifluoromethyl)cyclobutane

Structural Information

Molecular Formula
C5H6ClF3
SMILES
C1C(CC1Cl)C(F)(F)F
InChI
InChI=1S/C5H6ClF3/c6-4-1-3(2-4)5(7,8)9/h3-4H,1-2H2
InChIKey
RRKYWVOSPNRELB-UHFFFAOYSA-N
Compound name
1-chloro-3-(trifluoromethyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.01102 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.01830 120.8
[M+Na]+ 181.00024 129.6
[M-H]- 157.00374 120.9
[M+NH4]+ 176.04484 136.6
[M+K]+ 196.97418 129.2
[M+H-H2O]+ 141.00828 110.7
[M+HCOO]- 203.00922 134.5
[M+CH3COO]- 217.02487 178.8
[M+Na-2H]- 178.98569 126.4
[M]+ 158.01047 125.6
[M]- 158.01157 125.6
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

No patent data available for this compound.