CID 58269

3-bromo-2-(dimethylamino)methyleneamino-9-fluorenone

Structural Information

Molecular Formula
C16H13BrN2O
SMILES
CN(C)C=NC1=C(C=C2C3=CC=CC=C3C(=O)C2=C1)Br
InChI
InChI=1S/C16H13BrN2O/c1-19(2)9-18-15-8-13-12(7-14(15)17)10-5-3-4-6-11(10)16(13)20/h3-9H,1-2H3
InChIKey
ZURKZTVVSYTSCL-UHFFFAOYSA-N
Compound name
N'-(3-bromo-9-oxofluoren-2-yl)-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.02112 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.02840 169.2
[M+Na]+ 351.01034 181.7
[M-H]- 327.01384 180.1
[M+NH4]+ 346.05494 191.7
[M+K]+ 366.98428 170.1
[M+H-H2O]+ 311.01838 167.8
[M+HCOO]- 373.01932 193.4
[M+CH3COO]- 387.03497 215.5
[M+Na-2H]- 348.99579 175.3
[M]+ 328.02057 191.0
[M]- 328.02167 191.0
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.