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

5
Patents

267.9735 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.98078 140.9
[M+Na]+ 290.96272 151.0
[M-H]- 266.96622 149.1
[M+NH4]+ 286.00732 156.1
[M+K]+ 306.93666 143.3
[M+H-H2O]+ 250.97076 137.3
[M+HCOO]- 312.97170 159.4
[M+CH3COO]- 326.98735 193.0
[M+Na-2H]- 288.94817 147.3
[M]+ 267.97295 166.5
[M]- 267.97405 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