CID 138040326

1-(2-chloroethyl)-1-(trifluoromethyl)cyclobutane

Structural Information

Molecular Formula
C7H10ClF3
SMILES
C1CC(C1)(CCCl)C(F)(F)F
InChI
InChI=1S/C7H10ClF3/c8-5-4-6(2-1-3-6)7(9,10)11/h1-5H2
InChIKey
DPOPUHUCMAJXDE-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-1-(trifluoromethyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.04231 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.04959 131.3
[M+Na]+ 209.03153 139.3
[M-H]- 185.03503 131.2
[M+NH4]+ 204.07613 147.7
[M+K]+ 225.00547 138.4
[M+H-H2O]+ 169.03957 121.8
[M+HCOO]- 231.04051 144.4
[M+CH3COO]- 245.05616 183.1
[M+Na-2H]- 207.01698 137.5
[M]+ 186.04176 136.8
[M]- 186.04286 136.8
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.