CID 105484321

7-bromo-1,2,3,4-tetrahydronaphthalen-2-ol

Structural Information

Molecular Formula
C10H11BrO
SMILES
C1CC2=C(CC1O)C=C(C=C2)Br
InChI
InChI=1S/C10H11BrO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5,10,12H,2,4,6H2
InChIKey
UGQHSPTYEKKEJS-UHFFFAOYSA-N
Compound name
7-bromo-1,2,3,4-tetrahydronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

225.99933 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.00661 142.0
[M+Na]+ 248.98855 152.7
[M-H]- 224.99205 147.7
[M+NH4]+ 244.03315 164.4
[M+K]+ 264.96249 141.4
[M+H-H2O]+ 208.99659 142.9
[M+HCOO]- 270.99753 159.7
[M+CH3COO]- 285.01318 184.5
[M+Na-2H]- 246.97400 149.8
[M]+ 225.99878 157.3
[M]- 225.99988 157.3
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