CID 130767961

2,3,5-trifluoro-6-methoxyaniline

Structural Information

Molecular Formula
C7H6F3NO
SMILES
COC1=C(C(=C(C=C1F)F)F)N
InChI
InChI=1S/C7H6F3NO/c1-12-7-4(9)2-3(8)5(10)6(7)11/h2H,11H2,1H3
InChIKey
NLFLNXSTRWTRRP-UHFFFAOYSA-N
Compound name
2,3,5-trifluoro-6-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

177.04015 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.047426 129.0
[M+Na]+ 200.029368 140.3
[M-H]- 176.032874 129.6
[M+NH4]+ 195.073973 149.6
[M+K]+ 216.003308 137.7
[M+H-H2O]+ 160.037410 121.3
[M+HCOO]- 222.038351 151.6
[M+CH3COO]- 236.054001 184.4
[M+Na-2H]- 198.014816 132.9
[M]+ 177.03960142 125.9
[M]- 177.04069858 125.9
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