CID 27381

Brn 2863284

Structural Information

Molecular Formula
C12H16ClNO3
SMILES
CCCCOC1=C(C=C(C=C1)CC(=O)NO)Cl
InChI
InChI=1S/C12H16ClNO3/c1-2-3-6-17-11-5-4-9(7-10(11)13)8-12(15)14-16/h4-5,7,16H,2-3,6,8H2,1H3,(H,14,15)
InChIKey
QWCMRXJDYXVLTM-UHFFFAOYSA-N
Compound name
2-(4-butoxy-3-chlorophenyl)-N-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

257.08188 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.089156 156.0
[M+Na]+ 280.071098 163.4
[M-H]- 256.074604 158.2
[M+NH4]+ 275.115703 173.2
[M+K]+ 296.045038 159.4
[M+H-H2O]+ 240.079140 150.7
[M+HCOO]- 302.080081 174.5
[M+CH3COO]- 316.095731 194.2
[M+Na-2H]- 278.056546 159.4
[M]+ 257.08133142 160.1
[M]- 257.08242858 160.1
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