CID 3477809

2-bromo-4-fluorophenylacetic acid

Structural Information

Molecular Formula
C8H6BrFO2
SMILES
C1=CC(=C(C=C1F)Br)CC(=O)O
InChI
InChI=1S/C8H6BrFO2/c9-7-4-6(10)2-1-5(7)3-8(11)12/h1-2,4H,3H2,(H,11,12)
InChIKey
MJSGXOXCPKTZTK-UHFFFAOYSA-N
Compound name
2-(2-bromo-4-fluorophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

282
Patents

231.95352 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.96080 141.2
[M+Na]+ 254.94274 143.9
[M+NH4]+ 249.98734 145.1
[M+K]+ 270.91668 144.3
[M-H]- 230.94624 139.8
[M+Na-2H]- 252.92819 143.6
[M]+ 231.95297 139.8
[M]- 231.95407 139.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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