CID 13067239

1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene

Structural Information

Molecular Formula
C11H13Br
SMILES
C1CC(C2=CC=CC=C2C1)CBr
InChI
InChI=1S/C11H13Br/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-2,4,7,10H,3,5-6,8H2
InChIKey
KALOJGOUZQSEGH-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

224.02007 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02735 143.3
[M+Na]+ 247.00929 153.3
[M-H]- 223.01279 149.9
[M+NH4]+ 242.05389 166.2
[M+K]+ 262.98323 142.1
[M+H-H2O]+ 207.01733 143.9
[M+HCOO]- 269.01827 161.9
[M+CH3COO]- 283.03392 157.9
[M+Na-2H]- 244.99474 151.6
[M]+ 224.01952 159.0
[M]- 224.02062 159.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe