CID 2733983

2,3,4,5-tetrafluoro-6-nitrobenzoic acid

Structural Information

Molecular Formula
C7HF4NO4
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C7HF4NO4/c8-2-1(7(13)14)6(12(15)16)5(11)4(10)3(2)9/h(H,13,14)
InChIKey
JQGBMYKEWLSLCI-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrafluoro-6-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

238.98418 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.99146 135.3
[M+Na]+ 261.97340 146.5
[M-H]- 237.97690 134.0
[M+NH4]+ 257.01800 152.1
[M+K]+ 277.94734 139.7
[M+H-H2O]+ 221.98144 131.6
[M+HCOO]- 283.98238 155.5
[M+CH3COO]- 297.99803 184.7
[M+Na-2H]- 259.95885 138.5
[M]+ 238.98363 130.2
[M]- 238.98473 130.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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