CID 3044957

K 9846

Structural Information

Molecular Formula
C17H16BrNO2
SMILES
CCN(CC)C1=CC(=O)C2=C(O1)C=CC3=C2C=CC(=C3)Br
InChI
InChI=1S/C17H16BrNO2/c1-3-19(4-2)16-10-14(20)17-13-7-6-12(18)9-11(13)5-8-15(17)21-16/h5-10H,3-4H2,1-2H3
InChIKey
YMUQGYGKVJCOBR-UHFFFAOYSA-N
Compound name
8-bromo-3-(diethylamino)benzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.03644 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.04372 172.2
[M+Na]+ 368.02566 185.1
[M-H]- 344.02916 182.4
[M+NH4]+ 363.07026 190.8
[M+K]+ 383.99960 174.8
[M+H-H2O]+ 328.03370 170.3
[M+HCOO]- 390.03464 193.3
[M+CH3COO]- 404.05029 186.7
[M+Na-2H]- 366.01111 180.9
[M]+ 345.03589 196.4
[M]- 345.03699 196.4
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

No patent data available for this compound.