CID 14711519

1-(3-bromopropyl)naphthalene

Structural Information

Molecular Formula
C13H13Br
SMILES
C1=CC=C2C(=C1)C=CC=C2CCCBr
InChI
InChI=1S/C13H13Br/c14-10-4-8-12-7-3-6-11-5-1-2-9-13(11)12/h1-3,5-7,9H,4,8,10H2
InChIKey
YPDLRSZRTOATJO-UHFFFAOYSA-N
Compound name
1-(3-bromopropyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
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