CID 290796

4,5-dimethoxy-2-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C9H10F3NO2
SMILES
COC1=C(C=C(C(=C1)C(F)(F)F)N)OC
InChI
InChI=1S/C9H10F3NO2/c1-14-7-3-5(9(10,11)12)6(13)4-8(7)15-2/h3-4H,13H2,1-2H3
InChIKey
RVFJSOZGQWYDAF-UHFFFAOYSA-N
Compound name
4,5-dimethoxy-2-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

221.06636 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.073636 142.5
[M+Na]+ 244.055578 152.4
[M-H]- 220.059084 142.7
[M+NH4]+ 239.100183 161.1
[M+K]+ 260.029518 150.3
[M+H-H2O]+ 204.063620 134.5
[M+HCOO]- 266.064561 163.1
[M+CH3COO]- 280.080211 191.0
[M+Na-2H]- 242.041026 146.7
[M]+ 221.06581142 140.5
[M]- 221.06690858 140.5
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