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

2
Patents

158.01102 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.018296 120.8
[M+Na]+ 181.000238 129.6
[M-H]- 157.003744 120.9
[M+NH4]+ 176.044843 136.6
[M+K]+ 196.974178 129.2
[M+H-H2O]+ 141.008280 110.7
[M+HCOO]- 203.009221 134.5
[M+CH3COO]- 217.024871 178.8
[M+Na-2H]- 178.985686 126.4
[M]+ 158.01047142 125.6
[M]- 158.01156858 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

patents stripe