CID 280997

2-fluoro-5-nitrobenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1323
Patents

185.01244 Da
Monoisotopic Mass

1.5
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

literature stripe

Patent stripe

patents stripe