CID 73754

2-(trifluoromethoxy)aniline

Structural Information

Molecular Formula
C7H6F3NO
SMILES
C1=CC=C(C(=C1)N)OC(F)(F)F
InChI
InChI=1S/C7H6F3NO/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-4H,11H2
InChIKey
ZFCOUBUSGHLCDT-UHFFFAOYSA-N
Compound name
2-(trifluoromethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1272
Patents

177.04015 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04743 136.2
[M+Na]+ 200.02937 145.0
[M+NH4]+ 195.07397 142.2
[M+K]+ 216.00331 140.3
[M-H]- 176.03287 133.8
[M+Na-2H]- 198.01482 141.0
[M]+ 177.03960 136.4
[M]- 177.04070 136.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe