CID 139541

1-(2-bromoethyl)naphthalene

Structural Information

Molecular Formula
C12H11Br
SMILES
C1=CC=C2C(=C1)C=CC=C2CCBr
InChI
InChI=1S/C12H11Br/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2
InChIKey
GPHCPUFIWQJZOI-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

582
Patents

234.00441 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.01169 144.0
[M+Na]+ 256.99363 155.5
[M-H]- 232.99713 151.1
[M+NH4]+ 252.03823 166.7
[M+K]+ 272.96757 143.9
[M+H-H2O]+ 217.00167 144.5
[M+HCOO]- 279.00261 165.1
[M+CH3COO]- 293.01826 159.3
[M+Na-2H]- 254.97908 153.8
[M]+ 234.00386 162.7
[M]- 234.00496 162.7
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