CID 135497889

5-bromo-2-hydroxybenzaldehyde oxime

Structural Information

Molecular Formula
C7H6BrNO2
SMILES
C1=CC(=C(C=C1Br)/C=N/O)O
InChI
InChI=1S/C7H6BrNO2/c8-6-1-2-7(10)5(3-6)4-9-11/h1-4,10-11H/b9-4+
InChIKey
YSDJVLAQRCCLPB-RUDMXATFSA-N
Compound name
4-bromo-2-[(E)-hydroxyiminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

214.95819 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.965466 133.9
[M+Na]+ 237.947408 145.8
[M-H]- 213.950914 139.4
[M+NH4]+ 232.992013 155.4
[M+K]+ 253.921348 134.4
[M+H-H2O]+ 197.955450 133.8
[M+HCOO]- 259.956391 156.5
[M+CH3COO]- 273.972041 182.8
[M+Na-2H]- 235.932856 142.3
[M]+ 214.95764142 151.7
[M]- 214.95873858 151.7
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

patents stripe