CID 2783365

3,5-difluoro-2-nitrobenzoic acid

Structural Information

Molecular Formula
C7H3F2NO4
SMILES
C1=C(C=C(C(=C1C(=O)O)[N+](=O)[O-])F)F
InChI
InChI=1S/C7H3F2NO4/c8-3-1-4(7(11)12)6(10(13)14)5(9)2-3/h1-2H,(H,11,12)
InChIKey
ZBEWIPTYUHHZIS-UHFFFAOYSA-N
Compound name
3,5-difluoro-2-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

203.00302 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.010296 131.8
[M+Na]+ 225.992238 141.2
[M-H]- 201.995744 132.6
[M+NH4]+ 221.036843 149.7
[M+K]+ 241.966178 135.2
[M+H-H2O]+ 186.000280 129.6
[M+HCOO]- 248.001221 154.3
[M+CH3COO]- 262.016871 176.5
[M+Na-2H]- 223.977686 137.4
[M]+ 203.00247142 128.4
[M]- 203.00356858 128.4
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