CID 3018911

5-bromo-7-nitroindoline

Structural Information

Molecular Formula
C8H7BrN2O2
SMILES
C1CNC2=C1C=C(C=C2[N+](=O)[O-])Br
InChI
InChI=1S/C8H7BrN2O2/c9-6-3-5-1-2-10-8(5)7(4-6)11(12)13/h3-4,10H,1-2H2
InChIKey
VXKXMHDXFLFIFI-UHFFFAOYSA-N
Compound name
5-bromo-7-nitro-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

854
Patents

241.96909 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.976366 146.1
[M+Na]+ 264.958308 157.2
[M-H]- 240.961814 151.1
[M+NH4]+ 260.002913 167.4
[M+K]+ 280.932248 142.1
[M+H-H2O]+ 224.966350 150.3
[M+HCOO]- 286.967291 166.1
[M+CH3COO]- 300.982941 180.3
[M+Na-2H]- 262.943756 154.5
[M]+ 241.96854142 161.4
[M]- 241.96963858 161.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe