CID 60875945

5-fluoro-n1-(2,2,2-trifluoroethyl)benzene-1,3-diamine

Structural Information

Molecular Formula
C8H8F4N2
SMILES
C1=C(C=C(C=C1NCC(F)(F)F)F)N
InChI
InChI=1S/C8H8F4N2/c9-5-1-6(13)3-7(2-5)14-4-8(10,11)12/h1-3,14H,4,13H2
InChIKey
YNSUTJWETGXLIS-UHFFFAOYSA-N
Compound name
5-fluoro-3-N-(2,2,2-trifluoroethyl)benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.06236 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.06964 138.2
[M+Na]+ 231.05158 146.9
[M-H]- 207.05508 136.7
[M+NH4]+ 226.09618 156.6
[M+K]+ 247.02552 143.4
[M+H-H2O]+ 191.05962 129.1
[M+HCOO]- 253.06056 158.6
[M+CH3COO]- 267.07621 190.5
[M+Na-2H]- 229.03703 143.2
[M]+ 208.06181 130.6
[M]- 208.06291 130.6
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.