CID 135705549

4-bromo-7-hydroxyindan oxime

Structural Information

Molecular Formula
C9H8BrNO2
SMILES
C1C/C(=N/O)/C2=C(C=CC(=C21)Br)O
InChI
InChI=1S/C9H8BrNO2/c10-6-2-4-8(12)9-5(6)1-3-7(9)11-13/h2,4,12-13H,1,3H2/b11-7-
InChIKey
BFCCIMYTKKPKND-XFFZJAGNSA-N
Compound name
(3Z)-7-bromo-3-hydroxyimino-1,2-dihydroinden-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

240.97385 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.981126 144.4
[M+Na]+ 263.963068 156.7
[M-H]- 239.966574 150.8
[M+NH4]+ 259.007673 167.7
[M+K]+ 279.937008 145.0
[M+H-H2O]+ 223.971110 144.9
[M+HCOO]- 285.972051 165.6
[M+CH3COO]- 299.987701 187.5
[M+Na-2H]- 261.948516 150.9
[M]+ 240.97330142 161.5
[M]- 240.97439858 161.5
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

No patent data available for this compound.