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

28
Patents

262.99457 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.00185 151.7
[M+Na]+ 285.98379 164.9
[M-H]- 261.98729 157.7
[M+NH4]+ 281.02839 174.3
[M+K]+ 301.95773 152.2
[M+H-H2O]+ 245.99183 152.2
[M+HCOO]- 307.99277 169.6
[M+CH3COO]- 322.00842 166.3
[M+Na-2H]- 283.96924 158.7
[M]+ 262.99402 168.8
[M]- 262.99512 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