CID 14969173

19432-27-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
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

literature stripe

Patent stripe

patents stripe