CID 11075906

1-(2-bromoethoxy)naphthalene

Structural Information

Molecular Formula
C12H11BrO
SMILES
C1=CC=C2C(=C1)C=CC=C2OCCBr
InChI
InChI=1S/C12H11BrO/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2
InChIKey
OBGFJKNQKBMXBM-UHFFFAOYSA-N
Compound name
1-(2-bromoethoxy)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

249.99933 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.00661 147.1
[M+Na]+ 272.98855 158.5
[M-H]- 248.99205 154.2
[M+NH4]+ 268.03315 169.1
[M+K]+ 288.96249 147.3
[M+H-H2O]+ 232.99659 147.3
[M+HCOO]- 294.99753 168.3
[M+CH3COO]- 309.01318 191.0
[M+Na-2H]- 270.97400 156.9
[M]+ 249.99878 167.2
[M]- 249.99988 167.2
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