CID 5353484

174664-65-4

Structural Information

Molecular Formula
C10H10N2O4
SMILES
C1=CC(=CC(=C1)C(=O)NO)/C=C/C(=O)NO
InChI
InChI=1S/C10H10N2O4/c13-9(11-15)5-4-7-2-1-3-8(6-7)10(14)12-16/h1-6,15-16H,(H,11,13)(H,12,14)/b5-4+
InChIKey
OYKBQNOPCSXWBL-SNAWJCMRSA-N
Compound name
N-hydroxy-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

22
References

1844
Patents

222.06406 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.071336 146.6
[M+Na]+ 245.053278 152.1
[M-H]- 221.056784 147.6
[M+NH4]+ 240.097883 162.6
[M+K]+ 261.027218 149.6
[M+H-H2O]+ 205.061320 140.1
[M+HCOO]- 267.062261 169.3
[M+CH3COO]- 281.077911 186.2
[M+Na-2H]- 243.038726 150.7
[M]+ 222.06351142 144.0
[M]- 222.06460858 144.0
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