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

585
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 139.5
[M+Na]+ 236.98855 151.0
[M-H]- 212.99205 144.9
[M+NH4]+ 232.03315 161.5
[M+K]+ 252.96249 140.0
[M+H-H2O]+ 196.99659 140.6
[M+HCOO]- 258.99753 158.8
[M+CH3COO]- 273.01318 182.8
[M+Na-2H]- 234.97400 147.9
[M]+ 213.99878 157.5
[M]- 213.99988 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

literature stripe

Patent stripe

patents stripe