CID 131011117

1,2,5-trifluoro-4-methoxy-3-nitrobenzene

Structural Information

Molecular Formula
C7H4F3NO3
SMILES
COC1=C(C(=C(C=C1F)F)F)[N+](=O)[O-]
InChI
InChI=1S/C7H4F3NO3/c1-14-7-4(9)2-3(8)5(10)6(7)11(12)13/h2H,1H3
InChIKey
LCUUUMROSPVHQG-UHFFFAOYSA-N
Compound name
1,2,5-trifluoro-4-methoxy-3-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.01433 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.02161 132.4
[M+Na]+ 230.00355 143.3
[M-H]- 206.00705 133.4
[M+NH4]+ 225.04815 151.3
[M+K]+ 245.97749 137.4
[M+H-H2O]+ 190.01159 129.2
[M+HCOO]- 252.01253 155.8
[M+CH3COO]- 266.02818 181.5
[M+Na-2H]- 227.98900 138.2
[M]+ 207.01378 130.0
[M]- 207.01488 130.0
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

No patent data available for this compound.