CID 205067

Urea, (2,6-difluorophenethyl)-

Structural Information

Molecular Formula
C9H10F2N2O
SMILES
C1=CC(=C(C(=C1)F)CCNC(=O)N)F
InChI
InChI=1S/C9H10F2N2O/c10-7-2-1-3-8(11)6(7)4-5-13-9(12)14/h1-3H,4-5H2,(H3,12,13,14)
InChIKey
MTLJBQORIWAOED-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.07613 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.08341 139.8
[M+Na]+ 223.06535 147.5
[M-H]- 199.06885 140.7
[M+NH4]+ 218.10995 158.4
[M+K]+ 239.03929 144.6
[M+H-H2O]+ 183.07339 131.8
[M+HCOO]- 245.07433 163.0
[M+CH3COO]- 259.08998 189.6
[M+Na-2H]- 221.05080 143.5
[M]+ 200.07558 135.6
[M]- 200.07668 135.6
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.