CID 145913203

3-(bromomethyl)-1-methoxy-1-(trifluoromethyl)cyclobutane

Structural Information

Molecular Formula
C7H10BrF3O
SMILES
COC1(CC(C1)CBr)C(F)(F)F
InChI
InChI=1S/C7H10BrF3O/c1-12-6(7(9,10)11)2-5(3-6)4-8/h5H,2-4H2,1H3
InChIKey
PZRHSTCZSPKURR-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-1-methoxy-1-(trifluoromethyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.98671 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.99399 161.1
[M+Na]+ 268.97593 157.7
[M+NH4]+ 264.02053 161.9
[M+K]+ 284.94987 157.5
[M-H]- 244.97943 154.8
[M+Na-2H]- 266.96138 159.4
[M]+ 245.98616 156.8
[M]- 245.98726 156.8
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.