CID 11172378

1-(1-bromoethyl)naphthalene

Structural Information

Molecular Formula
C12H11Br
SMILES
CC(C1=CC=CC2=CC=CC=C21)Br
InChI
InChI=1S/C12H11Br/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,1H3
InChIKey
QWECYQJPMOAXMH-UHFFFAOYSA-N
Compound name
1-(1-bromoethyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

234.00441 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.01169 144.7
[M+Na]+ 256.99363 155.9
[M-H]- 232.99713 151.8
[M+NH4]+ 252.03823 167.2
[M+K]+ 272.96757 144.6
[M+H-H2O]+ 217.00167 145.2
[M+HCOO]- 279.00261 164.7
[M+CH3COO]- 293.01826 159.8
[M+Na-2H]- 254.97908 153.3
[M]+ 234.00386 162.8
[M]- 234.00496 162.8
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