CID 145913509

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

Structural Information

Molecular Formula
C8H9F2N3O2
SMILES
COC1=CC(=C(C=C1NC(=O)NN)F)F
InChI
InChI=1S/C8H9F2N3O2/c1-15-7-3-5(10)4(9)2-6(7)12-8(14)13-11/h2-3H,11H2,1H3,(H2,12,13,14)
InChIKey
SPXBXWQUVNWFBI-UHFFFAOYSA-N
Compound name
1-amino-3-(4,5-difluoro-2-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]+ 218.07356 141.9
[M+Na]+ 240.05550 150.1
[M-H]- 216.05900 143.3
[M+NH4]+ 235.10010 159.7
[M+K]+ 256.02944 148.1
[M+H-H2O]+ 200.06354 133.6
[M+HCOO]- 262.06448 166.7
[M+CH3COO]- 276.08013 194.5
[M+Na-2H]- 238.04095 145.8
[M]+ 217.06573 138.3
[M]- 217.06683 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.