CID 2776946

1,2,3-trifluoro-5-methoxybenzene

Structural Information

Molecular Formula
C7H5F3O
SMILES
COC1=CC(=C(C(=C1)F)F)F
InChI
InChI=1S/C7H5F3O/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3H,1H3
InChIKey
WVGMXLCSROHOIY-UHFFFAOYSA-N
Compound name
1,2,3-trifluoro-5-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

162.02925 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.03653 123.8
[M+Na]+ 185.01847 135.0
[M-H]- 161.02197 124.6
[M+NH4]+ 180.06307 145.3
[M+K]+ 200.99241 133.0
[M+H-H2O]+ 145.02651 116.4
[M+HCOO]- 207.02745 146.1
[M+CH3COO]- 221.04310 179.1
[M+Na-2H]- 183.00392 129.4
[M]+ 162.02870 122.1
[M]- 162.02980 122.1
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