CID 12681920

2-(4-bromophenyl)propan-2-ol

Structural Information

Molecular Formula
C9H11BrO
SMILES
CC(C)(C1=CC=C(C=C1)Br)O
InChI
InChI=1S/C9H11BrO/c1-9(2,11)7-3-5-8(10)6-4-7/h3-6,11H,1-2H3
InChIKey
AOGYBHJTXLXRSM-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

569
Patents

213.99933 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.00661 138.2
[M+Na]+ 236.98855 141.7
[M+NH4]+ 232.03315 143.5
[M+K]+ 252.96249 141.9
[M-H]- 212.99205 138.5
[M+Na-2H]- 234.97400 142.2
[M]+ 213.99878 137.7
[M]- 213.99988 137.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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