CID 6876022

2-bromobenzaldoxime

Structural Information

Molecular Formula
C7H6BrNO
SMILES
C1=CC=C(C(=C1)/C=N/O)Br
InChI
InChI=1S/C7H6BrNO/c8-7-4-2-1-3-6(7)5-9-10/h1-5,10H/b9-5+
InChIKey
PSIRFUPZHPEKAE-WEVVVXLNSA-N
Compound name
(NE)-N-[(2-bromophenyl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

62
Patents

198.96329 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.97057 130.8
[M+Na]+ 221.95251 142.4
[M-H]- 197.95601 137.3
[M+NH4]+ 216.99711 153.4
[M+K]+ 237.92645 131.6
[M+H-H2O]+ 181.96055 130.8
[M+HCOO]- 243.96149 154.7
[M+CH3COO]- 257.97714 182.2
[M+Na-2H]- 219.93796 140.5
[M]+ 198.96274 148.7
[M]- 198.96384 148.7
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

No patent data available for this compound.