CID 11563

3-bromophenol

Structural Information

Molecular Formula
C6H5BrO
SMILES
C1=CC(=CC(=C1)Br)O
InChI
InChI=1S/C6H5BrO/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChIKey
MNOJRWOWILAHAV-UHFFFAOYSA-N
Compound name
3-bromophenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

20
References

10827
Patents

171.95238 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.95966 124.8
[M+Na]+ 194.94160 129.1
[M+NH4]+ 189.98620 130.6
[M+K]+ 210.91554 128.9
[M-H]- 170.94510 125.7
[M+Na-2H]- 192.92705 129.7
[M]+ 171.95183 124.5
[M]- 171.95293 124.5
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