CID 4113672

2-(3-bromopropoxy)naphthalene

Structural Information

Molecular Formula
C13H13BrO
SMILES
C1=CC=C2C=C(C=CC2=C1)OCCCBr
InChI
InChI=1S/C13H13BrO/c14-8-3-9-15-13-7-6-11-4-1-2-5-12(11)10-13/h1-2,4-7,10H,3,8-9H2
InChIKey
VOHRIBRQYLSFCF-UHFFFAOYSA-N
Compound name
2-(3-bromopropoxy)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

264.01498 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.02226 151.9
[M+Na]+ 287.00420 162.8
[M-H]- 263.00770 158.7
[M+NH4]+ 282.04880 173.3
[M+K]+ 302.97814 151.4
[M+H-H2O]+ 247.01224 151.8
[M+HCOO]- 309.01318 172.7
[M+CH3COO]- 323.02883 193.8
[M+Na-2H]- 284.98965 161.0
[M]+ 264.01443 172.2
[M]- 264.01553 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.