CID 23294885

2,5-dibromo-4-methylbenzoic acid

Structural Information

Molecular Formula
C8H6Br2O2
SMILES
CC1=CC(=C(C=C1Br)C(=O)O)Br
InChI
InChI=1S/C8H6Br2O2/c1-4-2-7(10)5(8(11)12)3-6(4)9/h2-3H,1H3,(H,11,12)
InChIKey
SQMRPUDOCRCFAO-UHFFFAOYSA-N
Compound name
2,5-dibromo-4-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

291.87344 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.88072 144.8
[M+Na]+ 314.86266 140.2
[M+NH4]+ 309.90726 146.6
[M+K]+ 330.83660 147.0
[M-H]- 290.86616 145.1
[M+Na-2H]- 312.84811 146.1
[M]+ 291.87289 143.1
[M]- 291.87399 143.1
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