CID 2125302

2-propoxy-5-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C10H12F3NO
SMILES
CCCOC1=C(C=C(C=C1)C(F)(F)F)N
InChI
InChI=1S/C10H12F3NO/c1-2-5-15-9-4-3-7(6-8(9)14)10(11,12)13/h3-4,6H,2,5,14H2,1H3
InChIKey
OZERIEQOZGPKHZ-UHFFFAOYSA-N
Compound name
2-propoxy-5-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

219.0871 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.094376 144.4
[M+Na]+ 242.076318 153.0
[M-H]- 218.079824 144.0
[M+NH4]+ 237.120923 162.8
[M+K]+ 258.050258 150.0
[M+H-H2O]+ 202.084360 136.2
[M+HCOO]- 264.085301 164.4
[M+CH3COO]- 278.100951 190.8
[M+Na-2H]- 240.061766 148.6
[M]+ 219.08655142 140.9
[M]- 219.08764858 140.9
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