CID 155819609

1-(bromomethyl)-3-(trifluoromethyl)bicyclo[1.1.1]pentane

Structural Information

Molecular Formula
C7H8BrF3
SMILES
C1C2(CC1(C2)C(F)(F)F)CBr
InChI
InChI=1S/C7H8BrF3/c8-4-5-1-6(2-5,3-5)7(9,10)11/h1-4H2
InChIKey
WFXDBCXKLDMZPD-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-(trifluoromethyl)bicyclo[1.1.1]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.97615 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.98343 144.4
[M+Na]+ 250.96537 153.0
[M-H]- 226.96887 147.7
[M+NH4]+ 246.00997 153.1
[M+K]+ 266.93931 150.7
[M+H-H2O]+ 210.97341 137.1
[M+HCOO]- 272.97435 154.1
[M+CH3COO]- 286.99000 212.4
[M+Na-2H]- 248.95082 153.1
[M]+ 227.97560 178.2
[M]- 227.97670 178.2
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.