CID 22148808

2-(2-fluoro-4-nitrophenyl)acetic acid

Structural Information

Molecular Formula
C8H6FNO4
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])F)CC(=O)O
InChI
InChI=1S/C8H6FNO4/c9-7-4-6(10(13)14)2-1-5(7)3-8(11)12/h1-2,4H,3H2,(H,11,12)
InChIKey
HKGNZXXYXCKJHO-UHFFFAOYSA-N
Compound name
2-(2-fluoro-4-nitrophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

94
Patents

199.02809 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.03537 135.2
[M+Na]+ 222.01731 143.2
[M-H]- 198.02081 136.8
[M+NH4]+ 217.06191 153.0
[M+K]+ 237.99125 137.4
[M+H-H2O]+ 182.02535 133.5
[M+HCOO]- 244.02629 158.4
[M+CH3COO]- 258.04194 175.6
[M+Na-2H]- 220.00276 141.3
[M]+ 199.02754 132.9
[M]- 199.02864 132.9
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