CID 2773214

3,5-bis(trifluoromethyl)-1,2-diaminobenzene

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

359
Patents

244.04352 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05080 160.8
[M+Na]+ 267.03274 164.9
[M+NH4]+ 262.07734 162.9
[M+K]+ 283.00668 161.7
[M-H]- 243.03624 154.8
[M+Na-2H]- 265.01819 161.2
[M]+ 244.04297 159.2
[M]- 244.04407 159.2
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