CID 3023845

Bis(3,5-dibromo-4-hydroxyphenyl)acetic acid

Structural Information

Molecular Formula
C14H8Br4O4
SMILES
C1=C(C=C(C(=C1Br)O)Br)C(C2=CC(=C(C(=C2)Br)O)Br)C(=O)O
InChI
InChI=1S/C14H8Br4O4/c15-7-1-5(2-8(16)12(7)19)11(14(21)22)6-3-9(17)13(20)10(18)4-6/h1-4,11,19-20H,(H,21,22)
InChIKey
FVYXZKBOFHWUDL-UHFFFAOYSA-N
Compound name
2,2-bis(3,5-dibromo-4-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

555.71564 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 556.72292 167.7
[M+Na]+ 578.70486 171.9
[M-H]- 554.70836 171.0
[M+NH4]+ 573.74946 175.0
[M+K]+ 594.67880 159.2
[M+H-H2O]+ 538.71290 184.5
[M+HCOO]- 600.71384 170.7
[M+CH3COO]- 614.72949 241.0
[M+Na-2H]- 576.69031 166.9
[M]+ 555.71509 205.2
[M]- 555.71619 205.2
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

patents stripe