CID 11817529

2-(3-bromopropyl)naphthalene

Structural Information

Molecular Formula
C13H13Br
SMILES
C1=CC=C2C=C(C=CC2=C1)CCCBr
InChI
InChI=1S/C13H13Br/c14-9-3-4-11-7-8-12-5-1-2-6-13(12)10-11/h1-2,5-8,10H,3-4,9H2
InChIKey
QDPDBXUSKFKXGM-UHFFFAOYSA-N
Compound name
2-(3-bromopropyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

45
Patents

248.02007 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.02735 148.8
[M+Na]+ 271.00929 159.8
[M-H]- 247.01279 155.6
[M+NH4]+ 266.05389 170.9
[M+K]+ 286.98323 147.9
[M+H-H2O]+ 231.01733 149.0
[M+HCOO]- 293.01827 169.4
[M+CH3COO]- 307.03392 192.0
[M+Na-2H]- 268.99474 158.0
[M]+ 248.01952 167.8
[M]- 248.02062 167.8
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