CID 23001114

4-bromo-1h,1ah,6h,6ah-cyclopropa[a]indene-1-carboxylic acid

Structural Information

Molecular Formula
C11H9BrO2
SMILES
C1C2C(C2C(=O)O)C3=C1C=C(C=C3)Br
InChI
InChI=1S/C11H9BrO2/c12-6-1-2-7-5(3-6)4-8-9(7)10(8)11(13)14/h1-3,8-10H,4H2,(H,13,14)
InChIKey
YMMCIHUSZVSEMF-UHFFFAOYSA-N
Compound name
4-bromo-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

251.97859 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.98587 140.4
[M+Na]+ 274.96781 144.8
[M+NH4]+ 270.01241 146.6
[M+K]+ 290.94175 147.5
[M-H]- 250.97131 146.5
[M+Na-2H]- 272.95326 143.9
[M]+ 251.97804 142.5
[M]- 251.97914 142.5
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