CID 275562

2-bromobicyclo[2.2.1]heptane-1-carboxylic acid

Structural Information

Molecular Formula
C8H11BrO2
SMILES
C1CC2(CC1CC2Br)C(=O)O
InChI
InChI=1S/C8H11BrO2/c9-6-3-5-1-2-8(6,4-5)7(10)11/h5-6H,1-4H2,(H,10,11)
InChIKey
YOBWYLCYNUIVKF-UHFFFAOYSA-N
Compound name
2-bromobicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

38
Patents

217.99425 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.00153 147.8
[M+Na]+ 240.98347 158.9
[M-H]- 216.98697 152.2
[M+NH4]+ 236.02807 175.7
[M+K]+ 256.95741 148.6
[M+H-H2O]+ 200.99151 150.4
[M+HCOO]- 262.99245 165.2
[M+CH3COO]- 277.00810 181.3
[M+Na-2H]- 238.96892 152.2
[M]+ 217.99370 164.0
[M]- 217.99480 164.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe