CID 10104007

3-bromobicyclo[1.1.1]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C6H7BrO2
SMILES
C1C2(CC1(C2)Br)C(=O)O
InChI
InChI=1S/C6H7BrO2/c7-6-1-5(2-6,3-6)4(8)9/h1-3H2,(H,8,9)
InChIKey
VWLOBPGTTZYAPT-UHFFFAOYSA-N
Compound name
3-bromobicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

189.96294 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.970216 132.8
[M+Na]+ 212.952158 139.8
[M-H]- 188.955664 137.5
[M+NH4]+ 207.996763 141.5
[M+K]+ 228.926098 138.9
[M+H-H2O]+ 172.960200 126.4
[M+HCOO]- 234.961141 144.3
[M+CH3COO]- 248.976791 205.8
[M+Na-2H]- 210.937606 141.9
[M]+ 189.96239142 169.1
[M]- 189.96348858 169.1
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