CID 43255044

3-amino-5-bromo-1-methyl-2,3-dihydro-1h-indol-2-one hydrochloride

Structural Information

Molecular Formula
C9H9BrN2O
SMILES
CN1C2=C(C=C(C=C2)Br)C(C1=O)N
InChI
InChI=1S/C9H9BrN2O/c1-12-7-3-2-5(10)4-6(7)8(11)9(12)13/h2-4,8H,11H2,1H3
InChIKey
QRMFCHHYDJJHOI-UHFFFAOYSA-N
Compound name
3-amino-5-bromo-1-methyl-3H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.98982 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.99710 144.6
[M+Na]+ 262.97904 158.3
[M-H]- 238.98254 150.9
[M+NH4]+ 258.02364 167.5
[M+K]+ 278.95298 146.5
[M+H-H2O]+ 222.98708 144.5
[M+HCOO]- 284.98802 165.3
[M+CH3COO]- 299.00367 191.6
[M+Na-2H]- 260.96449 149.9
[M]+ 239.98927 162.2
[M]- 239.99037 162.2
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

No patent data available for this compound.