CID 3853727

87815-78-9

Structural Information

Molecular Formula
C13H15F3N2O2
SMILES
C1CCC(CC1)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C13H15F3N2O2/c14-13(15,16)9-6-7-11(12(8-9)18(19)20)17-10-4-2-1-3-5-10/h6-8,10,17H,1-5H2
InChIKey
YSHMYXNNTXMCIJ-UHFFFAOYSA-N
Compound name
N-cyclohexyl-2-nitro-4-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

288.10855 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11583 159.1
[M+Na]+ 311.09777 163.3
[M-H]- 287.10127 161.1
[M+NH4]+ 306.14237 173.2
[M+K]+ 327.07171 155.7
[M+H-H2O]+ 271.10581 154.0
[M+HCOO]- 333.10675 176.9
[M+CH3COO]- 347.12240 196.4
[M+Na-2H]- 309.08322 164.2
[M]+ 288.10800 148.7
[M]- 288.10910 148.7
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