CID 3729763

43034-86-2

Structural Information

Molecular Formula
C13H11F3N2
SMILES
C1=CC=C(C(=C1)N)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C13H11F3N2/c14-13(15,16)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)17/h1-8,18H,17H2
InChIKey
AWUGJXBGADQEFJ-UHFFFAOYSA-N
Compound name
2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

30
Patents

252.08743 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09471 152.1
[M+Na]+ 275.07665 160.1
[M-H]- 251.08015 154.8
[M+NH4]+ 270.12125 168.4
[M+K]+ 291.05059 155.0
[M+H-H2O]+ 235.08469 142.3
[M+HCOO]- 297.08563 173.4
[M+CH3COO]- 311.10128 198.4
[M+Na-2H]- 273.06210 157.8
[M]+ 252.08688 145.3
[M]- 252.08798 145.3
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