CID 81696329

1499315-74-0

Structural Information

Molecular Formula
C12H11BrO2
SMILES
C1CC2(CC2C(=O)O)C3=C1C=C(C=C3)Br
InChI
InChI=1S/C12H11BrO2/c13-8-1-2-9-7(5-8)3-4-12(9)6-10(12)11(14)15/h1-2,5,10H,3-4,6H2,(H,14,15)
InChIKey
YAAQTJRXJDFALA-UHFFFAOYSA-N
Compound name
6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

265.99423 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.00151 154.1
[M+Na]+ 288.98345 168.2
[M-H]- 264.98695 163.1
[M+NH4]+ 284.02805 174.1
[M+K]+ 304.95739 156.3
[M+H-H2O]+ 248.99149 155.7
[M+HCOO]- 310.99243 172.3
[M+CH3COO]- 325.00808 168.7
[M+Na-2H]- 286.96890 159.9
[M]+ 265.99368 173.7
[M]- 265.99478 173.7
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