CID 146082091

3-amino-1-(2,4-difluoro-5-methoxyphenyl)urea

Structural Information

Molecular Formula
C8H9F2N3O2
SMILES
COC1=C(C=C(C(=C1)NC(=O)NN)F)F
InChI
InChI=1S/C8H9F2N3O2/c1-15-7-3-6(12-8(14)13-11)4(9)2-5(7)10/h2-3H,11H2,1H3,(H2,12,13,14)
InChIKey
VTMMYZKHEJOBJA-UHFFFAOYSA-N
Compound name
1-amino-3-(2,4-difluoro-5-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.06628 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.073556 141.9
[M+Na]+ 240.055498 150.1
[M-H]- 216.059004 143.3
[M+NH4]+ 235.100103 159.7
[M+K]+ 256.029438 148.1
[M+H-H2O]+ 200.063540 133.6
[M+HCOO]- 262.064481 166.7
[M+CH3COO]- 276.080131 194.5
[M+Na-2H]- 238.040946 145.8
[M]+ 217.06573142 138.3
[M]- 217.06682858 138.3
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.