CID 19711338

1-(7-amino-5-bromoindolin-1-yl)ethanone

Structural Information

Molecular Formula
C10H11BrN2O
SMILES
CC(=O)N1CCC2=C1C(=CC(=C2)Br)N
InChI
InChI=1S/C10H11BrN2O/c1-6(14)13-3-2-7-4-8(11)5-9(12)10(7)13/h4-5H,2-3,12H2,1H3
InChIKey
DBKBKWSBFWROLO-UHFFFAOYSA-N
Compound name
1-(7-amino-5-bromo-2,3-dihydroindol-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

254.00548 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.01276 150.4
[M+Na]+ 276.99470 162.6
[M-H]- 252.99820 156.3
[M+NH4]+ 272.03930 172.5
[M+K]+ 292.96864 151.1
[M+H-H2O]+ 237.00274 150.0
[M+HCOO]- 299.00368 169.9
[M+CH3COO]- 313.01933 193.5
[M+Na-2H]- 274.98015 154.6
[M]+ 254.00493 167.3
[M]- 254.00603 167.3
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