CID 2759047

3-fluoro-5-nitrobenzoic acid

Structural Information

Molecular Formula
C7H4FNO4
SMILES
C1=C(C=C(C=C1[N+](=O)[O-])F)C(=O)O
InChI
InChI=1S/C7H4FNO4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,(H,10,11)
InChIKey
VIPUIECMSDQUIK-UHFFFAOYSA-N
Compound name
3-fluoro-5-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

328
Patents

185.01244 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.01972 130.3
[M+Na]+ 208.00166 138.7
[M-H]- 184.00516 132.1
[M+NH4]+ 203.04626 148.6
[M+K]+ 223.97560 133.1
[M+H-H2O]+ 168.00970 128.8
[M+HCOO]- 230.01064 153.8
[M+CH3COO]- 244.02629 172.5
[M+Na-2H]- 205.98711 136.9
[M]+ 185.01189 127.6
[M]- 185.01299 127.6
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