CID 43163995

1-amino-3-(2,2,2-trifluoroethyl)urea

Structural Information

Molecular Formula
C3H6F3N3O
SMILES
C(C(F)(F)F)NC(=O)NN
InChI
InChI=1S/C3H6F3N3O/c4-3(5,6)1-8-2(10)9-7/h1,7H2,(H2,8,9,10)
InChIKey
NOTCAMCNFOCZPL-UHFFFAOYSA-N
Compound name
1-amino-3-(2,2,2-trifluoroethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

157.0463 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.05358 125.7
[M+Na]+ 180.03552 132.3
[M-H]- 156.03902 122.0
[M+NH4]+ 175.08012 145.3
[M+K]+ 196.00946 131.8
[M+H-H2O]+ 140.04356 118.0
[M+HCOO]- 202.04450 147.5
[M+CH3COO]- 216.06015 180.6
[M+Na-2H]- 178.02097 131.5
[M]+ 157.04575 117.9
[M]- 157.04685 117.9
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