CID 43616260

N-(3-fluoro-4-methylphenyl)prop-2-enamide

Structural Information

Molecular Formula
C10H10FNO
SMILES
CC1=C(C=C(C=C1)NC(=O)C=C)F
InChI
InChI=1S/C10H10FNO/c1-3-10(13)12-8-5-4-7(2)9(11)6-8/h3-6H,1H2,2H3,(H,12,13)
InChIKey
FHAMFCIQKOPBEN-UHFFFAOYSA-N
Compound name
N-(3-fluoro-4-methylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

179.07465 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.081926 135.5
[M+Na]+ 202.063868 143.9
[M-H]- 178.067374 138.3
[M+NH4]+ 197.108473 155.6
[M+K]+ 218.037808 141.1
[M+H-H2O]+ 162.071910 129.0
[M+HCOO]- 224.072851 159.3
[M+CH3COO]- 238.088501 184.6
[M+Na-2H]- 200.049316 140.3
[M]+ 179.07410142 133.9
[M]- 179.07519858 133.9
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