CID 14450112

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

Structural Information

Molecular Formula
C10H11Br
SMILES
C1CC(C2=CC=CC=C2C1)Br
InChI
InChI=1S/C10H11Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2
InChIKey
DJFWBXZNNOYGAU-UHFFFAOYSA-N
Compound name
1-bromo-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
Patents

210.00441 Da
Monoisotopic Mass

3.3
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

No literature data available for this compound.

Patent stripe

patents stripe