CID 98891

5-bromo-1,2,3,4-tetrahydronaphthalene

Structural Information

Molecular Formula
C10H11Br
SMILES
C1CCC2=C(C1)C=CC=C2Br
InChI
InChI=1S/C10H11Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2
InChIKey
WDNLCUAIHSXPBR-UHFFFAOYSA-N
Compound name
5-bromo-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

210.00441 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.011686 138.6
[M+Na]+ 232.993628 149.0
[M-H]- 208.997134 145.3
[M+NH4]+ 228.038233 162.0
[M+K]+ 248.967568 138.1
[M+H-H2O]+ 193.001670 139.4
[M+HCOO]- 255.002611 157.5
[M+CH3COO]- 269.018261 153.6
[M+Na-2H]- 230.979076 147.5
[M]+ 210.00386142 153.9
[M]- 210.00495858 153.9
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