CID 64906262

1-(3-bromophenyl)-3-oxocyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C11H9BrO3
SMILES
C1C(=O)CC1(C2=CC(=CC=C2)Br)C(=O)O
InChI
InChI=1S/C11H9BrO3/c12-8-3-1-2-7(4-8)11(10(14)15)5-9(13)6-11/h1-4H,5-6H2,(H,14,15)
InChIKey
DLOZFXSVHTYQQM-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)-3-oxocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

267.9735 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.980776 140.9
[M+Na]+ 290.962718 151.0
[M-H]- 266.966224 149.1
[M+NH4]+ 286.007323 156.1
[M+K]+ 306.936658 143.3
[M+H-H2O]+ 250.970760 137.3
[M+HCOO]- 312.971701 159.4
[M+CH3COO]- 326.987351 193.0
[M+Na-2H]- 288.948166 147.3
[M]+ 267.97295142 166.5
[M]- 267.97404858 166.5
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