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

81
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

literature stripe

Patent stripe

patents stripe