CID 16217752

Bromo(4-fluorophenyl)acetic acid

Structural Information

Molecular Formula
C8H6BrFO2
SMILES
C1=CC(=CC=C1C(C(=O)O)Br)F
InChI
InChI=1S/C8H6BrFO2/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7H,(H,11,12)
InChIKey
ATILMAUMZRFROS-UHFFFAOYSA-N
Compound name
2-bromo-2-(4-fluorophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

231.95352 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.96080 140.1
[M+Na]+ 254.94274 151.1
[M-H]- 230.94624 144.0
[M+NH4]+ 249.98734 160.7
[M+K]+ 270.91668 140.3
[M+H-H2O]+ 214.95078 139.7
[M+HCOO]- 276.95172 158.6
[M+CH3COO]- 290.96737 184.8
[M+Na-2H]- 252.92819 145.4
[M]+ 231.95297 156.4
[M]- 231.95407 156.4
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