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]+ 227.006606 142.0
[M+Na]+ 248.988548 152.7
[M-H]- 224.992054 147.7
[M+NH4]+ 244.033153 164.4
[M+K]+ 264.962488 141.4
[M+H-H2O]+ 208.996590 142.9
[M+HCOO]- 270.997531 159.7
[M+CH3COO]- 285.013181 184.5
[M+Na-2H]- 246.973996 149.8
[M]+ 225.99878142 157.3
[M]- 225.99987858 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