CID 39306

42839-72-5

Structural Information

Molecular Formula
C17H16BrNO2
SMILES
CN(C)CC1=C2C3=CC=CC=C3C(=O)C2=C(C=C1OC)Br
InChI
InChI=1S/C17H16BrNO2/c1-19(2)9-12-14(21-3)8-13(18)16-15(12)10-6-4-5-7-11(10)17(16)20/h4-8H,9H2,1-3H3
InChIKey
ZYFFACAYBMIIDV-UHFFFAOYSA-N
Compound name
1-bromo-4-[(dimethylamino)methyl]-3-methoxyfluoren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.03644 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.04372 175.1
[M+Na]+ 368.02566 187.9
[M-H]- 344.02916 184.9
[M+NH4]+ 363.07026 196.9
[M+K]+ 383.99960 176.7
[M+H-H2O]+ 328.03370 174.3
[M+HCOO]- 390.03464 196.5
[M+CH3COO]- 404.05029 215.8
[M+Na-2H]- 366.01111 179.2
[M]+ 345.03589 198.5
[M]- 345.03699 198.5
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

No patent data available for this compound.