CID 137346891

1-(bromomethyl)-4-(trifluoromethoxy)cyclohexane

Structural Information

Molecular Formula
C8H12BrF3O
SMILES
C1CC(CCC1CBr)OC(F)(F)F
InChI
InChI=1S/C8H12BrF3O/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h6-7H,1-5H2
InChIKey
DTMMGULZMGGZDS-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-(trifluoromethoxy)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.00235 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.00963 153.2
[M+Na]+ 282.99157 162.7
[M-H]- 258.99507 155.0
[M+NH4]+ 278.03617 173.5
[M+K]+ 298.96551 152.0
[M+H-H2O]+ 242.99961 151.4
[M+HCOO]- 305.00055 167.0
[M+CH3COO]- 319.01620 190.6
[M+Na-2H]- 280.97702 157.5
[M]+ 260.00180 164.8
[M]- 260.00290 164.8
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.