CID 2773214

1,2-diamino-3,5-bis(trifluoromethyl)benzene

Structural Information

Molecular Formula
C8H6F6N2
SMILES
C1=C(C=C(C(=C1C(F)(F)F)N)N)C(F)(F)F
InChI
InChI=1S/C8H6F6N2/c9-7(10,11)3-1-4(8(12,13)14)6(16)5(15)2-3/h1-2H,15-16H2
InChIKey
BRLIJPMFMGTIAW-UHFFFAOYSA-N
Compound name
3,5-bis(trifluoromethyl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

326
Patents

244.04352 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.050796 144.7
[M+Na]+ 267.032738 155.0
[M-H]- 243.036244 140.7
[M+NH4]+ 262.077343 161.6
[M+K]+ 283.006678 150.8
[M+H-H2O]+ 227.040780 134.7
[M+HCOO]- 289.041721 160.6
[M+CH3COO]- 303.057371 196.8
[M+Na-2H]- 265.018186 147.5
[M]+ 244.04297142 133.1
[M]- 244.04406858 133.1
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