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]+ 190.97022 132.8
[M+Na]+ 212.95216 139.8
[M-H]- 188.95566 137.5
[M+NH4]+ 207.99676 141.5
[M+K]+ 228.92610 138.9
[M+H-H2O]+ 172.96020 126.4
[M+HCOO]- 234.96114 144.3
[M+CH3COO]- 248.97679 205.8
[M+Na-2H]- 210.93761 141.9
[M]+ 189.96239 169.1
[M]- 189.96349 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