CID 264070

41019-50-5

Structural Information

Molecular Formula
C15H13BrO3
SMILES
CC1(C(CC2=C(O1)C3=CC=CC=C3C(=O)C2=O)Br)C
InChI
InChI=1S/C15H13BrO3/c1-15(2)11(16)7-10-13(18)12(17)8-5-3-4-6-9(8)14(10)19-15/h3-6,11H,7H2,1-2H3
InChIKey
AUROYOJYCLWCML-UHFFFAOYSA-N
Compound name
3-bromo-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

10
Patents

320.00482 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.01210 162.1
[M+Na]+ 342.99404 175.0
[M-H]- 318.99754 171.0
[M+NH4]+ 338.03864 183.4
[M+K]+ 358.96798 164.9
[M+H-H2O]+ 303.00208 162.3
[M+HCOO]- 365.00302 177.6
[M+CH3COO]- 379.01867 204.7
[M+Na-2H]- 340.97949 169.6
[M]+ 320.00427 181.7
[M]- 320.00537 181.7
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