CID 708529

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

9
References

87
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

literature stripe

Patent stripe

patents stripe