CID 211455

Brn 0695922

Structural Information

Molecular Formula
C10H9F6N3O
SMILES
CNC(=O)NNC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C10H9F6N3O/c1-17-8(20)19-18-7-3-5(9(11,12)13)2-6(4-7)10(14,15)16/h2-4,18H,1H3,(H2,17,19,20)
InChIKey
RGQYJBUMTXXLFM-UHFFFAOYSA-N
Compound name
1-[3,5-bis(trifluoromethyl)anilino]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.06497 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.07225 167.6
[M+Na]+ 324.05419 170.4
[M+NH4]+ 319.09879 168.8
[M+K]+ 340.02813 167.7
[M-H]- 300.05769 161.4
[M+Na-2H]- 322.03964 167.9
[M]+ 301.06442 165.6
[M]- 301.06552 165.6
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.