CID 362366

Nsc626112

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.97385 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.98113 163.6
[M+Na]+ 323.96307 176.8
[M-H]- 299.96657 172.2
[M+NH4]+ 319.00767 183.2
[M+K]+ 339.93701 160.3
[M+H-H2O]+ 283.97111 167.5
[M+HCOO]- 345.97205 184.3
[M+CH3COO]- 359.98770 190.2
[M+Na-2H]- 321.94852 171.0
[M]+ 300.97330 181.9
[M]- 300.97440 181.9
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.