CID 3249955

Benzaldehyde, 2-hydroxy-5-nitro-, oxime

Structural Information

Molecular Formula
C7H6N2O4
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])C=NO)O
InChI
InChI=1S/C7H6N2O4/c10-7-2-1-6(9(12)13)3-5(7)4-8-11/h1-4,10-11H
InChIKey
DVBKBUGAIYQNOE-UHFFFAOYSA-N
Compound name
2-(hydroxyiminomethyl)-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

182.03276 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04004 131.7
[M+Na]+ 205.02198 139.4
[M-H]- 181.02548 134.8
[M+NH4]+ 200.06658 150.0
[M+K]+ 220.99592 133.7
[M+H-H2O]+ 165.03002 130.6
[M+HCOO]- 227.03096 158.2
[M+CH3COO]- 241.04661 173.2
[M+Na-2H]- 203.00743 140.5
[M]+ 182.03221 129.9
[M]- 182.03331 129.9
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