CID 72221857

3-bromo-4-(propan-2-yl)phenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.99933 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.00661 138.4
[M+Na]+ 236.98855 150.0
[M-H]- 212.99205 143.9
[M+NH4]+ 232.03315 160.4
[M+K]+ 252.96249 139.1
[M+H-H2O]+ 196.99659 139.2
[M+HCOO]- 258.99753 158.2
[M+CH3COO]- 273.01318 184.3
[M+Na-2H]- 234.97400 144.5
[M]+ 213.99878 156.5
[M]- 213.99988 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

No patent data available for this compound.