CID 16080144

Trans-2-(4-bromophenyl)-5-propyltetrahydro-2h-pyran

Structural Information

Molecular Formula
C14H19BrO
SMILES
CCC[C@H]1CC[C@@H](OC1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C14H19BrO/c1-2-3-11-4-9-14(16-10-11)12-5-7-13(15)8-6-12/h5-8,11,14H,2-4,9-10H2,1H3/t11-,14+/m0/s1
InChIKey
SPEIHKLAKHRGBU-SMDDNHRTSA-N
Compound name
(2R,5S)-2-(4-bromophenyl)-5-propyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.06192 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.06920 160.8
[M+Na]+ 305.05114 169.3
[M-H]- 281.05464 169.6
[M+NH4]+ 300.09574 179.1
[M+K]+ 321.02508 159.1
[M+H-H2O]+ 265.05918 160.1
[M+HCOO]- 327.06012 177.8
[M+CH3COO]- 341.07577 196.8
[M+Na-2H]- 303.03659 165.9
[M]+ 282.06137 177.2
[M]- 282.06247 177.2
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.