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

13
Patents

179.07465 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08193 135.5
[M+Na]+ 202.06387 143.9
[M-H]- 178.06737 138.3
[M+NH4]+ 197.10847 155.6
[M+K]+ 218.03781 141.1
[M+H-H2O]+ 162.07191 129.0
[M+HCOO]- 224.07285 159.3
[M+CH3COO]- 238.08850 184.6
[M+Na-2H]- 200.04932 140.3
[M]+ 179.07410 133.9
[M]- 179.07520 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