CID 6448037

9-(4-bromobenzylidene)-1-azafluorene

Structural Information

Molecular Formula
C19H12BrN
SMILES
C1=CC=C\2C(=C1)C3=C(/C2=C/C4=CC=C(C=C4)Br)N=CC=C3
InChI
InChI=1S/C19H12BrN/c20-14-9-7-13(8-10-14)12-18-16-5-2-1-4-15(16)17-6-3-11-21-19(17)18/h1-12H/b18-12+
InChIKey
PGAKVZRBPHFHKV-LDADJPATSA-N
Compound name
(9E)-9-[(4-bromophenyl)methylidene]indeno[2,1-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.01532 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.02260 174.1
[M+Na]+ 356.00454 186.9
[M-H]- 332.00804 184.0
[M+NH4]+ 351.04914 194.1
[M+K]+ 371.97848 173.1
[M+H-H2O]+ 316.01258 173.0
[M+HCOO]- 378.01352 193.6
[M+CH3COO]- 392.02917 187.8
[M+Na-2H]- 353.98999 180.5
[M]+ 333.01477 192.4
[M]- 333.01587 192.4
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.