CID 14793482

26307-50-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

250
Patents

213.99933 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.006606 138.4
[M+Na]+ 236.988548 150.0
[M-H]- 212.992054 143.9
[M+NH4]+ 232.033153 160.4
[M+K]+ 252.962488 139.1
[M+H-H2O]+ 196.996590 139.2
[M+HCOO]- 258.997531 158.2
[M+CH3COO]- 273.013181 184.3
[M+Na-2H]- 234.973996 144.5
[M]+ 213.99878142 156.5
[M]- 213.99987858 156.5
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