CID 2736115

3,3'-bis(trifluoromethyl)benzidine

Structural Information

Molecular Formula
C14H10F6N2
SMILES
C1=CC(=C(C=C1C2=CC(=C(C=C2)N)C(F)(F)F)C(F)(F)F)N
InChI
InChI=1S/C14H10F6N2/c15-13(16,17)9-5-7(1-3-11(9)21)8-2-4-12(22)10(6-8)14(18,19)20/h1-6H,21-22H2
InChIKey
PJWQLRKRVISYPL-UHFFFAOYSA-N
Compound name
4-[4-amino-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2781
Patents

320.07483 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.08211 167.4
[M+Na]+ 343.06405 177.5
[M-H]- 319.06755 166.4
[M+NH4]+ 338.10865 181.1
[M+K]+ 359.03799 171.1
[M+H-H2O]+ 303.07209 155.5
[M+HCOO]- 365.07303 182.7
[M+CH3COO]- 379.08868 211.6
[M+Na-2H]- 341.04950 168.9
[M]+ 320.07428 156.3
[M]- 320.07538 156.3
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

patents stripe