CID 43132746

1-n-(2,2,2-trifluoroethyl)benzene-1,3-diamine

Structural Information

Molecular Formula
C8H9F3N2
SMILES
C1=CC(=CC(=C1)NCC(F)(F)F)N
InChI
InChI=1S/C8H9F3N2/c9-8(10,11)5-13-7-3-1-2-6(12)4-7/h1-4,13H,5,12H2
InChIKey
AWZXCDPZJIKNJD-UHFFFAOYSA-N
Compound name
3-N-(2,2,2-trifluoroethyl)benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.07178 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07906 138.7
[M+Na]+ 213.06100 146.6
[M+NH4]+ 208.10560 144.6
[M+K]+ 229.03494 141.7
[M-H]- 189.06450 136.9
[M+Na-2H]- 211.04645 143.5
[M]+ 190.07123 138.9
[M]- 190.07233 138.9
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

No patent data available for this compound.