CID 58306680

7-bromo-2,3-dihydro-1h-inden-1-ol

Structural Information

Molecular Formula
C9H9BrO
SMILES
C1CC2=C(C1O)C(=CC=C2)Br
InChI
InChI=1S/C9H9BrO/c10-7-3-1-2-6-4-5-8(11)9(6)7/h1-3,8,11H,4-5H2
InChIKey
BDANRHYZJFBCQQ-UHFFFAOYSA-N
Compound name
7-bromo-2,3-dihydro-1H-inden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

211.98367 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99095 140.5
[M+Na]+ 234.97289 152.8
[M-H]- 210.97639 146.8
[M+NH4]+ 230.01749 165.3
[M+K]+ 250.94683 141.6
[M+H-H2O]+ 194.98093 141.9
[M+HCOO]- 256.98187 160.6
[M+CH3COO]- 270.99752 181.4
[M+Na-2H]- 232.95834 147.2
[M]+ 211.98312 157.5
[M]- 211.98422 157.5
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