CID 57363099

1092460-74-6

Structural Information

Molecular Formula
C9H7F6NO
SMILES
COC1=CC(=CC(=C1N)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C9H7F6NO/c1-17-6-3-4(8(10,11)12)2-5(7(6)16)9(13,14)15/h2-3H,16H2,1H3
InChIKey
ZLTYWLXYXRBBJP-UHFFFAOYSA-N
Compound name
2-methoxy-4,6-bis(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

259.04318 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05046 148.3
[M+Na]+ 282.03240 158.9
[M-H]- 258.03590 144.7
[M+NH4]+ 277.07700 165.1
[M+K]+ 298.00634 155.4
[M+H-H2O]+ 242.04044 138.2
[M+HCOO]- 304.04138 163.7
[M+CH3COO]- 318.05703 197.5
[M+Na-2H]- 280.01785 151.4
[M]+ 259.04263 140.2
[M]- 259.04373 140.2
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