CID 146109631

3,3-dibromocyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C5H6Br2O2
SMILES
C1C(CC1(Br)Br)C(=O)O
InChI
InChI=1S/C5H6Br2O2/c6-5(7)1-3(2-5)4(8)9/h3H,1-2H2,(H,8,9)
InChIKey
YZFOHXLYXYMKPH-UHFFFAOYSA-N
Compound name
3,3-dibromocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.87344 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.880716 120.9
[M+Na]+ 278.862658 130.7
[M-H]- 254.866164 126.9
[M+NH4]+ 273.907263 137.3
[M+K]+ 294.836598 118.5
[M+H-H2O]+ 238.870700 126.8
[M+HCOO]- 300.871641 134.8
[M+CH3COO]- 314.887291 197.2
[M+Na-2H]- 276.848106 128.8
[M]+ 255.87289142 159.2
[M]- 255.87398858 159.2
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

No patent data available for this compound.