CID 366621

Nsc635296

Structural Information

Molecular Formula
C17H13BrClNO3
SMILES
CC1=CC(=CC2=C1NC(=O)C2(CC(=O)C3=CC=C(C=C3)Br)O)Cl
InChI
InChI=1S/C17H13BrClNO3/c1-9-6-12(19)7-13-15(9)20-16(22)17(13,23)8-14(21)10-2-4-11(18)5-3-10/h2-7,23H,8H2,1H3,(H,20,22)
InChIKey
CIMUGHIYCUFSOP-UHFFFAOYSA-N
Compound name
3-[2-(4-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-7-methyl-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.9767 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.98398 179.5
[M+Na]+ 415.96592 193.1
[M-H]- 391.96942 186.6
[M+NH4]+ 411.01052 198.1
[M+K]+ 431.93986 178.4
[M+H-H2O]+ 375.97396 180.3
[M+HCOO]- 437.97490 191.1
[M+CH3COO]- 451.99055 209.7
[M+Na-2H]- 413.95137 181.8
[M]+ 392.97615 200.0
[M]- 392.97725 200.0
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.