CID 12959381

1-(3-bromopropoxy)naphthalene

Structural Information

Molecular Formula
C13H13BrO
SMILES
C1=CC=C2C(=C1)C=CC=C2OCCCBr
InChI
InChI=1S/C13H13BrO/c14-9-4-10-15-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10H2
InChIKey
ICLUABGTJWXERF-UHFFFAOYSA-N
Compound name
1-(3-bromopropoxy)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

264.01498 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.022256 151.9
[M+Na]+ 287.004198 162.8
[M-H]- 263.007704 158.7
[M+NH4]+ 282.048803 173.3
[M+K]+ 302.978138 151.4
[M+H-H2O]+ 247.012240 151.8
[M+HCOO]- 309.013181 172.7
[M+CH3COO]- 323.028831 193.8
[M+Na-2H]- 284.989646 161.0
[M]+ 264.01443142 172.2
[M]- 264.01552858 172.2
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