CID 2252460

25642-11-9

Structural Information

Molecular Formula
C9H7F7N2
SMILES
C1=C(C=C(C=C1N)N)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H7F7N2/c10-7(11,8(12,13)9(14,15)16)4-1-5(17)3-6(18)2-4/h1-3H,17-18H2
InChIKey
UFXWGKWUEQVCSK-UHFFFAOYSA-N
Compound name
5-(1,1,2,2,3,3,3-heptafluoropropyl)benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

276.04974 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.05702 151.6
[M+Na]+ 299.03896 160.8
[M-H]- 275.04246 146.1
[M+NH4]+ 294.08356 166.7
[M+K]+ 315.01290 156.5
[M+H-H2O]+ 259.04700 140.7
[M+HCOO]- 321.04794 164.4
[M+CH3COO]- 335.06359 202.8
[M+Na-2H]- 297.02441 154.9
[M]+ 276.04919 138.1
[M]- 276.05029 138.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.