CID 83402926

1314671-45-8

Structural Information

Molecular Formula
C10H9BrF2O2
SMILES
CC(C)(C1=C(C=C(C=C1F)Br)F)C(=O)O
InChI
InChI=1S/C10H9BrF2O2/c1-10(2,9(14)15)8-6(12)3-5(11)4-7(8)13/h3-4H,1-2H3,(H,14,15)
InChIKey
ZDHBDVLXNJGTNP-UHFFFAOYSA-N
Compound name
2-(4-bromo-2,6-difluorophenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.9754 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.98268 151.7
[M+Na]+ 300.96462 164.3
[M-H]- 276.96812 154.9
[M+NH4]+ 296.00922 171.3
[M+K]+ 316.93856 152.6
[M+H-H2O]+ 260.97266 150.8
[M+HCOO]- 322.97360 168.0
[M+CH3COO]- 336.98925 194.7
[M+Na-2H]- 298.95007 155.9
[M]+ 277.97485 168.4
[M]- 277.97595 168.4
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

No patent data available for this compound.