CID 14817036

4-(3-bromopropyl)phenol

Structural Information

Molecular Formula
C9H11BrO
SMILES
C1=CC(=CC=C1CCCBr)O
InChI
InChI=1S/C9H11BrO/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,11H,1-2,7H2
InChIKey
SIJRSDOJOBGBJP-UHFFFAOYSA-N
Compound name
4-(3-bromopropyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

306
Patents

213.99933 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.00661 138.7
[M+Na]+ 236.98855 149.7
[M-H]- 212.99205 143.7
[M+NH4]+ 232.03315 160.5
[M+K]+ 252.96249 138.3
[M+H-H2O]+ 196.99659 139.2
[M+HCOO]- 258.99753 159.4
[M+CH3COO]- 273.01318 182.4
[M+Na-2H]- 234.97400 146.6
[M]+ 213.99878 157.0
[M]- 213.99988 157.0
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