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

16
Patents

251.97859 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.985866 150.0
[M+Na]+ 274.967808 164.8
[M-H]- 250.971314 157.9
[M+NH4]+ 270.012413 169.6
[M+K]+ 290.941748 152.1
[M+H-H2O]+ 234.975850 151.1
[M+HCOO]- 296.976791 168.4
[M+CH3COO]- 310.992441 164.9
[M+Na-2H]- 272.953256 155.6
[M]+ 251.97804142 170.7
[M]- 251.97913858 170.7
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