CID 10398096

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

207.01433 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.021606 132.4
[M+Na]+ 230.003548 143.3
[M-H]- 206.007054 133.4
[M+NH4]+ 225.048153 151.3
[M+K]+ 245.977488 137.4
[M+H-H2O]+ 190.011590 129.2
[M+HCOO]- 252.012531 155.8
[M+CH3COO]- 266.028181 181.5
[M+Na-2H]- 227.988996 138.2
[M]+ 207.01378142 130.0
[M]- 207.01487858 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

patents stripe