CID 2777800

1228879-16-0

Structural Information

Molecular Formula
C7H9F3N4
SMILES
C1=CN=C(N=C1C(F)(F)F)NCCN
InChI
InChI=1S/C7H9F3N4/c8-7(9,10)5-1-3-12-6(14-5)13-4-2-11/h1,3H,2,4,11H2,(H,12,13,14)
InChIKey
JNFLDBVTZRCMGV-UHFFFAOYSA-N
Compound name
N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

206.07793 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08521 140.1
[M+Na]+ 229.06715 148.3
[M-H]- 205.07065 136.9
[M+NH4]+ 224.11175 155.7
[M+K]+ 245.04109 145.1
[M+H-H2O]+ 189.07519 130.1
[M+HCOO]- 251.07613 159.4
[M+CH3COO]- 265.09178 188.8
[M+Na-2H]- 227.05260 147.3
[M]+ 206.07738 134.1
[M]- 206.07848 134.1
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