CID 13750439

3-methoxy-2-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C8H8F3NO
SMILES
COC1=CC=CC(=C1C(F)(F)F)N
InChI
InChI=1S/C8H8F3NO/c1-13-6-4-2-3-5(12)7(6)8(9,10)11/h2-4H,12H2,1H3
InChIKey
PBJBDVWRFMTPOI-UHFFFAOYSA-N
Compound name
3-methoxy-2-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

191.0558 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06308 134.9
[M+Na]+ 214.04502 144.4
[M-H]- 190.04852 134.9
[M+NH4]+ 209.08962 154.4
[M+K]+ 230.01896 141.9
[M+H-H2O]+ 174.05306 127.1
[M+HCOO]- 236.05400 155.6
[M+CH3COO]- 250.06965 184.7
[M+Na-2H]- 212.03047 140.3
[M]+ 191.05525 130.7
[M]- 191.05635 130.7
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