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

27
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.