CID 2783381

3-bromo-4-fluorophenol

Structural Information

Molecular Formula
C6H4BrFO
SMILES
C1=CC(=C(C=C1O)Br)F
InChI
InChI=1S/C6H4BrFO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H
InChIKey
QWTULQLVGNZMLF-UHFFFAOYSA-N
Compound name
3-bromo-4-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1072
Patents

189.94296 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.95024 127.7
[M+Na]+ 212.93218 140.9
[M-H]- 188.93568 132.3
[M+NH4]+ 207.97678 150.7
[M+K]+ 228.90612 129.8
[M+H-H2O]+ 172.94022 128.1
[M+HCOO]- 234.94116 148.5
[M+CH3COO]- 248.95681 177.5
[M+Na-2H]- 210.91763 136.0
[M]+ 189.94241 144.4
[M]- 189.94351 144.4
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