CID 20129928

2-(3,4-dibromophenyl)acetic acid

Structural Information

Molecular Formula
C8H6Br2O2
SMILES
C1=CC(=C(C=C1CC(=O)O)Br)Br
InChI
InChI=1S/C8H6Br2O2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey
SARHWCIVOIXKHS-UHFFFAOYSA-N
Compound name
2-(3,4-dibromophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

291.87344 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.88072 138.8
[M+Na]+ 314.86266 149.7
[M-H]- 290.86616 144.7
[M+NH4]+ 309.90726 157.6
[M+K]+ 330.83660 134.2
[M+H-H2O]+ 274.87070 146.9
[M+HCOO]- 336.87164 154.0
[M+CH3COO]- 350.88729 200.4
[M+Na-2H]- 312.84811 145.1
[M]+ 291.87289 172.5
[M]- 291.87399 172.5
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