CID 64913968

2-(7-bromo-2-oxo-2,3-dihydro-1h-indol-3-yl)acetic acid

Structural Information

Molecular Formula
C10H8BrNO3
SMILES
C1=CC2=C(C(=C1)Br)NC(=O)C2CC(=O)O
InChI
InChI=1S/C10H8BrNO3/c11-7-3-1-2-5-6(4-8(13)14)10(15)12-9(5)7/h1-3,6H,4H2,(H,12,15)(H,13,14)
InChIKey
BLCDNKCOJZBYGV-UHFFFAOYSA-N
Compound name
2-(7-bromo-2-oxo-1,3-dihydroindol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.96875 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.976026 151.1
[M+Na]+ 291.957968 163.2
[M-H]- 267.961474 154.9
[M+NH4]+ 287.002573 171.5
[M+K]+ 307.931908 151.1
[M+H-H2O]+ 251.966010 151.6
[M+HCOO]- 313.966951 167.9
[M+CH3COO]- 327.982601 188.6
[M+Na-2H]- 289.943416 155.2
[M]+ 268.96820142 168.3
[M]- 268.96929858 168.3
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.