CID 12636343

[2-bromo-1-(propan-2-yloxy)ethyl]benzene

Structural Information

Molecular Formula
C11H15BrO
SMILES
CC(C)OC(CBr)C1=CC=CC=C1
InChI
InChI=1S/C11H15BrO/c1-9(2)13-11(8-12)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKey
FICMACAJGUTHRD-UHFFFAOYSA-N
Compound name
(2-bromo-1-propan-2-yloxyethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

242.03062 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.03790 149.1
[M+Na]+ 265.01984 158.3
[M-H]- 241.02334 154.9
[M+NH4]+ 260.06444 170.1
[M+K]+ 280.99378 148.3
[M+H-H2O]+ 225.02788 149.0
[M+HCOO]- 287.02882 168.7
[M+CH3COO]- 301.04447 191.1
[M+Na-2H]- 263.00529 154.6
[M]+ 242.03007 168.4
[M]- 242.03117 168.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe