CID 9677294

452280-22-7

Structural Information

Molecular Formula
C8H8BrNO2
SMILES
COC1=C(C=C(C=C1)Br)/C=N/O
InChI
InChI=1S/C8H8BrNO2/c1-12-8-3-2-7(9)4-6(8)5-10-11/h2-5,11H,1H3/b10-5+
InChIKey
FOPPMJDZHLMQIP-BJMVGYQFSA-N
Compound name
(NE)-N-[(5-bromo-2-methoxyphenyl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

228.97385 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.981126 137.5
[M+Na]+ 251.963068 149.5
[M-H]- 227.966574 144.2
[M+NH4]+ 247.007673 159.2
[M+K]+ 267.937008 138.9
[M+H-H2O]+ 211.971110 137.1
[M+HCOO]- 273.972051 161.3
[M+CH3COO]- 287.987701 188.1
[M+Na-2H]- 249.948516 146.0
[M]+ 228.97330142 157.5
[M]- 228.97439858 157.5
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

patents stripe