CID 12887561

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

Structural Information

Molecular Formula
C10H11Br
SMILES
C1CC2=CC=CC=C2CC1Br
InChI
InChI=1S/C10H11Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2
InChIKey
IBMAISVTUOJFGF-UHFFFAOYSA-N
Compound name
2-bromo-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

210.00441 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01169 138.6
[M+Na]+ 232.99363 149.0
[M-H]- 208.99713 145.3
[M+NH4]+ 228.03823 162.0
[M+K]+ 248.96757 138.1
[M+H-H2O]+ 193.00167 139.4
[M+HCOO]- 255.00261 157.5
[M+CH3COO]- 269.01826 153.6
[M+Na-2H]- 230.97908 147.5
[M]+ 210.00386 153.9
[M]- 210.00496 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