CID 569062

2-(4-bromophenyl)propan-1-ol

Structural Information

Molecular Formula
C9H11BrO
SMILES
CC(CO)C1=CC=C(C=C1)Br
InChI
InChI=1S/C9H11BrO/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,7,11H,6H2,1H3
InChIKey
RXLUPCQYFPVVKS-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

213.99933 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.006606 139.3
[M+Na]+ 236.988548 150.1
[M-H]- 212.992054 144.4
[M+NH4]+ 232.033153 161.0
[M+K]+ 252.962488 139.1
[M+H-H2O]+ 196.996590 139.9
[M+HCOO]- 258.997531 159.1
[M+CH3COO]- 273.013181 183.2
[M+Na-2H]- 234.973996 146.0
[M]+ 213.99878142 157.1
[M]- 213.99987858 157.1
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