CID 129139514

2-(4-bromophenyl)-3,3-dimethyloxetane

Structural Information

Molecular Formula
C11H13BrO
SMILES
CC1(COC1C2=CC=C(C=C2)Br)C
InChI
InChI=1S/C11H13BrO/c1-11(2)7-13-10(11)8-3-5-9(12)6-4-8/h3-6,10H,7H2,1-2H3
InChIKey
HNCZRTLCZJVGLG-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-3,3-dimethyloxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

240.01498 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.022256 134.2
[M+Na]+ 263.004198 145.2
[M-H]- 239.007704 144.4
[M+NH4]+ 258.048803 150.6
[M+K]+ 278.978138 139.0
[M+H-H2O]+ 223.012240 131.1
[M+HCOO]- 285.013181 153.8
[M+CH3COO]- 299.028831 192.4
[M+Na-2H]- 260.989646 143.4
[M]+ 240.01443142 161.5
[M]- 240.01552858 161.5
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

patents stripe