CID 205282

17751-24-5

Structural Information

Molecular Formula
C8H8F2N2O
SMILES
C1=CC(=C(C(=C1)F)CNC(=O)N)F
InChI
InChI=1S/C8H8F2N2O/c9-6-2-1-3-7(10)5(6)4-12-8(11)13/h1-3H,4H2,(H3,11,12,13)
InChIKey
XJGQUIHBNMXOQE-UHFFFAOYSA-N
Compound name
(2,6-difluorophenyl)methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

186.06047 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.067746 135.1
[M+Na]+ 209.049688 143.3
[M-H]- 185.053194 136.2
[M+NH4]+ 204.094293 154.3
[M+K]+ 225.023628 140.6
[M+H-H2O]+ 169.057730 127.3
[M+HCOO]- 231.058671 158.7
[M+CH3COO]- 245.074321 186.5
[M+Na-2H]- 207.035136 139.4
[M]+ 186.05992142 130.6
[M]- 186.06101858 130.6
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

patents stripe