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]+ 241.98113 144.4
[M+Na]+ 263.96307 156.7
[M-H]- 239.96657 150.8
[M+NH4]+ 259.00767 167.7
[M+K]+ 279.93701 145.0
[M+H-H2O]+ 223.97111 144.9
[M+HCOO]- 285.97205 165.6
[M+CH3COO]- 299.98770 187.5
[M+Na-2H]- 261.94852 150.9
[M]+ 240.97330 161.5
[M]- 240.97440 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.