CID 57955614

2-fluoro-5-methoxy-4-nitrobenzoic acid

Structural Information

Molecular Formula
C8H6FNO5
SMILES
COC1=C(C=C(C(=C1)C(=O)O)F)[N+](=O)[O-]
InChI
InChI=1S/C8H6FNO5/c1-15-7-2-4(8(11)12)5(9)3-6(7)10(13)14/h2-3H,1H3,(H,11,12)
InChIKey
JXCYBTVSPGQRCM-UHFFFAOYSA-N
Compound name
2-fluoro-5-methoxy-4-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

215.023 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.03028 137.3
[M+Na]+ 238.01222 146.0
[M-H]- 214.01572 139.3
[M+NH4]+ 233.05682 154.7
[M+K]+ 253.98616 140.8
[M+H-H2O]+ 198.02026 135.6
[M+HCOO]- 260.02120 160.7
[M+CH3COO]- 274.03685 178.9
[M+Na-2H]- 235.99767 143.0
[M]+ 215.02245 136.8
[M]- 215.02355 136.8
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