CID 605472

2-bromo-4-fluorophenol

Structural Information

Molecular Formula
C6H4BrFO
SMILES
C1=CC(=C(C=C1F)Br)O
InChI
InChI=1S/C6H4BrFO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H
InChIKey
MEYRABVEYCFHHB-UHFFFAOYSA-N
Compound name
2-bromo-4-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2475
Patents

189.94296 Da
Monoisotopic Mass

2.6
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

literature stripe

Patent stripe

patents stripe