CID 107540660

1692064-62-2

Structural Information

Molecular Formula
C10H10BrFO3
SMILES
CC(C)OC1=C(C(=C(C=C1)C(=O)O)Br)F
InChI
InChI=1S/C10H10BrFO3/c1-5(2)15-7-4-3-6(10(13)14)8(11)9(7)12/h3-5H,1-2H3,(H,13,14)
InChIKey
WVUGWLMDRUERHM-UHFFFAOYSA-N
Compound name
2-bromo-3-fluoro-4-propan-2-yloxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.97974 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.98702 150.1
[M+Na]+ 298.96896 161.9
[M-H]- 274.97246 154.3
[M+NH4]+ 294.01356 169.6
[M+K]+ 314.94290 151.2
[M+H-H2O]+ 258.97700 149.4
[M+HCOO]- 320.97794 168.1
[M+CH3COO]- 334.99359 194.6
[M+Na-2H]- 296.95441 153.1
[M]+ 275.97919 169.2
[M]- 275.98029 169.2
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.