CID 57941535

7-bromo-2,3,4,9-tetrahydro-1h-carbazol-1-one

Structural Information

Molecular Formula
C12H10BrNO
SMILES
C1CC2=C(C(=O)C1)NC3=C2C=CC(=C3)Br
InChI
InChI=1S/C12H10BrNO/c13-7-4-5-8-9-2-1-3-11(15)12(9)14-10(8)6-7/h4-6,14H,1-3H2
InChIKey
NCEHEFABAXLWNC-UHFFFAOYSA-N
Compound name
7-bromo-2,3,4,9-tetrahydrocarbazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

262.99457 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.001846 151.7
[M+Na]+ 285.983788 164.9
[M-H]- 261.987294 157.7
[M+NH4]+ 281.028393 174.3
[M+K]+ 301.957728 152.2
[M+H-H2O]+ 245.991830 152.2
[M+HCOO]- 307.992771 169.6
[M+CH3COO]- 322.008421 166.3
[M+Na-2H]- 283.969236 158.7
[M]+ 262.99402142 168.8
[M]- 262.99511858 168.8
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

patents stripe