CID 12802909

2-(3-bromophenyl)propan-1-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

213.99933 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.00661 139.3
[M+Na]+ 236.98855 150.1
[M-H]- 212.99205 144.4
[M+NH4]+ 232.03315 161.0
[M+K]+ 252.96249 139.1
[M+H-H2O]+ 196.99659 139.9
[M+HCOO]- 258.99753 159.1
[M+CH3COO]- 273.01318 183.2
[M+Na-2H]- 234.97400 146.0
[M]+ 213.99878 157.1
[M]- 213.99988 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