CID 18072781

3-amino-6-bromo-2,3-dihydro-1h-indol-2-one hydrochloride

Structural Information

Molecular Formula
C8H7BrN2O
SMILES
C1=CC2=C(C=C1Br)NC(=O)C2N
InChI
InChI=1S/C8H7BrN2O/c9-4-1-2-5-6(3-4)11-8(12)7(5)10/h1-3,7H,10H2,(H,11,12)
InChIKey
LITSJFHQYPBQDX-UHFFFAOYSA-N
Compound name
3-amino-6-bromo-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.97418 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.98146 140.9
[M+Na]+ 248.96340 153.7
[M-H]- 224.96690 145.7
[M+NH4]+ 244.00800 163.4
[M+K]+ 264.93734 141.3
[M+H-H2O]+ 208.97144 141.0
[M+HCOO]- 270.97238 160.6
[M+CH3COO]- 284.98803 185.3
[M+Na-2H]- 246.94885 146.9
[M]+ 225.97363 156.1
[M]- 225.97473 156.1
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.