CID 115408302

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

Structural Information

Molecular Formula
C3H7F2N3O
SMILES
C(C(F)F)NC(=O)NN
InChI
InChI=1S/C3H7F2N3O/c4-2(5)1-7-3(9)8-6/h2H,1,6H2,(H2,7,8,9)
InChIKey
UEAKYNSEGNWLQZ-UHFFFAOYSA-N
Compound name
1-amino-3-(2,2-difluoroethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

139.05573 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.06301 124.3
[M+Na]+ 162.04495 130.1
[M-H]- 138.04845 121.7
[M+NH4]+ 157.08955 144.5
[M+K]+ 178.01889 130.2
[M+H-H2O]+ 122.05299 116.9
[M+HCOO]- 184.05393 147.7
[M+CH3COO]- 198.06958 179.1
[M+Na-2H]- 160.03040 128.7
[M]+ 139.05518 117.7
[M]- 139.05628 117.7
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