CID 59386309

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

Structural Information

Molecular Formula
C7H4F3NO2
SMILES
CC1=CC(=C(C(=C1[N+](=O)[O-])F)F)F
InChI
InChI=1S/C7H4F3NO2/c1-3-2-4(8)5(9)6(10)7(3)11(12)13/h2H,1H3
InChIKey
KUVHAROVDXTOGN-UHFFFAOYSA-N
Compound name
1,2,3-trifluoro-5-methyl-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

191.01941 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.02669 132.9
[M+Na]+ 214.00863 144.5
[M+NH4]+ 209.05323 139.2
[M+K]+ 229.98257 141.6
[M-H]- 190.01213 132.1
[M+Na-2H]- 211.99408 137.5
[M]+ 191.01886 134.0
[M]- 191.01996 134.0
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