CID 68614947

1067882-59-0

Structural Information

Molecular Formula
C8H5BrClFO2
SMILES
C1=C(C(=CC(=C1F)Cl)Br)CC(=O)O
InChI
InChI=1S/C8H5BrClFO2/c9-5-3-6(10)7(11)1-4(5)2-8(12)13/h1,3H,2H2,(H,12,13)
InChIKey
SYYQNROQBWDXJU-UHFFFAOYSA-N
Compound name
2-(2-bromo-4-chloro-5-fluorophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

265.91455 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.92183 142.0
[M+Na]+ 288.90377 156.0
[M-H]- 264.90727 146.5
[M+NH4]+ 283.94837 162.9
[M+K]+ 304.87771 142.8
[M+H-H2O]+ 248.91181 142.8
[M+HCOO]- 310.91275 157.2
[M+CH3COO]- 324.92840 189.7
[M+Na-2H]- 286.88922 147.1
[M]+ 265.91400 161.6
[M]- 265.91510 161.6
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

patents stripe