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 140.1
[M+Na]+ 268.97593 151.1
[M-H]- 244.97943 143.1
[M+NH4]+ 264.02053 157.3
[M+K]+ 284.94987 143.6
[M+H-H2O]+ 228.98397 135.8
[M+HCOO]- 290.98491 155.7
[M+CH3COO]- 305.00056 192.0
[M+Na-2H]- 266.96138 146.9
[M]+ 245.98616 163.1
[M]- 245.98726 163.1
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.