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

134
Patents

210.00441 Da
Monoisotopic Mass

3.3
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

No literature data available for this compound.

Patent stripe

patents stripe