CID 3055486

Brn 4502200

Structural Information

Molecular Formula
C19H14BrNO
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CC(O3)NC4=CC=C(C=C4)Br
InChI
InChI=1S/C19H14BrNO/c20-14-6-8-15(9-7-14)21-19-12-10-17-16-4-2-1-3-13(16)5-11-18(17)22-19/h1-12,19,21H
InChIKey
CDQRLWUOYHFAKE-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-3H-benzo[f]chromen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.02588 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.03316 175.8
[M+Na]+ 374.01510 185.9
[M-H]- 350.01860 186.6
[M+NH4]+ 369.05970 192.6
[M+K]+ 389.98904 174.4
[M+H-H2O]+ 334.02314 173.6
[M+HCOO]- 396.02408 194.1
[M+CH3COO]- 410.03973 188.6
[M+Na-2H]- 372.00055 185.0
[M]+ 351.02533 193.3
[M]- 351.02643 193.3
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.