CID 211455

2-(3,5-bis(trifluoromethyl)phenyl)-n-methylhydrazinecarboxamide

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 158.5
[M+Na]+ 324.05419 166.2
[M-H]- 300.05769 154.9
[M+NH4]+ 319.09879 172.8
[M+K]+ 340.02813 162.7
[M+H-H2O]+ 284.06223 147.3
[M+HCOO]- 346.06317 175.5
[M+CH3COO]- 360.07882 208.6
[M+Na-2H]- 322.03964 162.4
[M]+ 301.06442 148.5
[M]- 301.06552 148.5
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