CID 125456217

4-cyclopropyl-2-(trifluoromethyl)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.07654 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.083816 131.5
[M+Na]+ 224.065758 141.8
[M-H]- 200.069264 135.3
[M+NH4]+ 219.110363 145.8
[M+K]+ 240.039698 137.4
[M+H-H2O]+ 184.073800 122.9
[M+HCOO]- 246.074741 152.1
[M+CH3COO]- 260.090391 190.2
[M+Na-2H]- 222.051206 137.0
[M]+ 201.07599142 128.1
[M]- 201.07708858 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

No patent data available for this compound.