CID 130637508

5-cyclopropyl-2-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C10H10F3N
SMILES
C1CC1C2=CC(=C(C=C2)C(F)(F)F)N
InChI
InChI=1S/C10H10F3N/c11-10(12,13)8-4-3-7(5-9(8)14)6-1-2-6/h3-6H,1-2,14H2
InChIKey
HUFIBIMDEKAFLV-UHFFFAOYSA-N
Compound name
5-cyclopropyl-2-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

201.07654 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08382 131.5
[M+Na]+ 224.06576 141.8
[M-H]- 200.06926 135.3
[M+NH4]+ 219.11036 145.8
[M+K]+ 240.03970 137.4
[M+H-H2O]+ 184.07380 122.9
[M+HCOO]- 246.07474 152.1
[M+CH3COO]- 260.09039 190.2
[M+Na-2H]- 222.05121 137.0
[M]+ 201.07599 128.1
[M]- 201.07709 128.1
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