CID 2779424

207557-34-4

Structural Information

Molecular Formula
C8H10F3N3
SMILES
C1=CC(=NC=C1C(F)(F)F)NCCN
InChI
InChI=1S/C8H10F3N3/c9-8(10,11)6-1-2-7(14-5-6)13-4-3-12/h1-2,5H,3-4,12H2,(H,13,14)
InChIKey
PFGNVKSFFSSFEU-UHFFFAOYSA-N
Compound name
N'-[5-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

205.08269 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08997 140.0
[M+Na]+ 228.07191 147.7
[M-H]- 204.07541 138.0
[M+NH4]+ 223.11651 157.0
[M+K]+ 244.04585 144.5
[M+H-H2O]+ 188.07995 130.7
[M+HCOO]- 250.08089 160.2
[M+CH3COO]- 264.09654 189.1
[M+Na-2H]- 226.05736 146.5
[M]+ 205.08214 133.8
[M]- 205.08324 133.8
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