CID 40556

(2-bromo-1-propoxyethyl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

242.03062 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.03790 148.5
[M+Na]+ 265.01984 158.0
[M-H]- 241.02334 154.2
[M+NH4]+ 260.06444 169.6
[M+K]+ 280.99378 147.6
[M+H-H2O]+ 225.02788 148.4
[M+HCOO]- 287.02882 169.1
[M+CH3COO]- 301.04447 190.3
[M+Na-2H]- 263.00529 155.2
[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

No literature data available for this compound.

Patent stripe

patents stripe