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

5
Patents

228.97385 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.98113 137.5
[M+Na]+ 251.96307 149.5
[M-H]- 227.96657 144.2
[M+NH4]+ 247.00767 159.2
[M+K]+ 267.93701 138.9
[M+H-H2O]+ 211.97111 137.1
[M+HCOO]- 273.97205 161.3
[M+CH3COO]- 287.98770 188.1
[M+Na-2H]- 249.94852 146.0
[M]+ 228.97330 157.5
[M]- 228.97440 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