CID 6433964

4-butoxy-3-fluorocinnamohydroxamic acid

Structural Information

Molecular Formula
C13H16FNO3
SMILES
CCCCOC1=C(C=C(C=C1)/C=C/C(=O)NO)F
InChI
InChI=1S/C13H16FNO3/c1-2-3-8-18-12-6-4-10(9-11(12)14)5-7-13(16)15-17/h4-7,9,17H,2-3,8H2,1H3,(H,15,16)/b7-5+
InChIKey
ZGPKYTBDNYEPJE-FNORWQNLSA-N
Compound name
(E)-3-(4-butoxy-3-fluorophenyl)-N-hydroxyprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.11142 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11870 156.4
[M+Na]+ 276.10064 162.9
[M-H]- 252.10414 157.1
[M+NH4]+ 271.14524 172.7
[M+K]+ 292.07458 159.6
[M+H-H2O]+ 236.10868 148.9
[M+HCOO]- 298.10962 178.1
[M+CH3COO]- 312.12527 194.7
[M+Na-2H]- 274.08609 159.0
[M]+ 253.11087 156.8
[M]- 253.11197 156.8
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.