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

literature stripe

Patent stripe

patents stripe