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

372
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 144.7
[M+Na]+ 267.03274 155.0
[M-H]- 243.03624 140.7
[M+NH4]+ 262.07734 161.6
[M+K]+ 283.00668 150.8
[M+H-H2O]+ 227.04078 134.7
[M+HCOO]- 289.04172 160.6
[M+CH3COO]- 303.05737 196.8
[M+Na-2H]- 265.01819 147.5
[M]+ 244.04297 133.1
[M]- 244.04407 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