CID 69238957

1243373-55-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

213.99933 Da
Monoisotopic Mass

3.4
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

No literature data available for this compound.

Patent stripe

patents stripe