CID 13314228

3-(3-bromophenoxy)propan-1-ol

Structural Information

Molecular Formula
C9H11BrO2
SMILES
C1=CC(=CC(=C1)Br)OCCCO
InChI
InChI=1S/C9H11BrO2/c10-8-3-1-4-9(7-8)12-6-2-5-11/h1,3-4,7,11H,2,5-6H2
InChIKey
LJACQNZRKNJEHV-UHFFFAOYSA-N
Compound name
3-(3-bromophenoxy)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

229.99425 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.00153 141.4
[M+Na]+ 252.98347 152.3
[M-H]- 228.98697 146.4
[M+NH4]+ 248.02807 162.5
[M+K]+ 268.95741 141.4
[M+H-H2O]+ 212.99151 141.7
[M+HCOO]- 274.99245 162.4
[M+CH3COO]- 289.00810 184.3
[M+Na-2H]- 250.96892 149.3
[M]+ 229.99370 161.1
[M]- 229.99480 161.1
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