CID 4613553

10-bromo-3-nitrophenanthrene

Structural Information

Molecular Formula
C14H8BrNO2
SMILES
C1=CC=C2C(=C1)C=C(C3=C2C=C(C=C3)[N+](=O)[O-])Br
InChI
InChI=1S/C14H8BrNO2/c15-14-7-9-3-1-2-4-11(9)13-8-10(16(17)18)5-6-12(13)14/h1-8H
InChIKey
VVZARQMLHUZRCK-UHFFFAOYSA-N
Compound name
10-bromo-3-nitrophenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.97385 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.98113 159.0
[M+Na]+ 323.96307 171.1
[M-H]- 299.96657 167.5
[M+NH4]+ 319.00767 179.0
[M+K]+ 339.93701 155.5
[M+H-H2O]+ 283.97111 162.3
[M+HCOO]- 345.97205 181.0
[M+CH3COO]- 359.98770 195.9
[M+Na-2H]- 321.94852 170.4
[M]+ 300.97330 178.6
[M]- 300.97440 178.6
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.