CID 16038256

3-(3,5-dibromophenyl)propanoic acid

Structural Information

Molecular Formula
C9H8Br2O2
SMILES
C1=C(C=C(C=C1Br)Br)CCC(=O)O
InChI
InChI=1S/C9H8Br2O2/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h3-5H,1-2H2,(H,12,13)
InChIKey
AMKWPMUHANVQSZ-UHFFFAOYSA-N
Compound name
3-(3,5-dibromophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

305.8891 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.89638 148.9
[M+Na]+ 328.87832 143.9
[M+NH4]+ 323.92292 150.5
[M+K]+ 344.85226 150.4
[M-H]- 304.88182 149.1
[M+Na-2H]- 326.86377 150.0
[M]+ 305.88855 147.1
[M]- 305.88965 147.1
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