CID 2783347

4-fluoro-3-nitrobenzoyl chloride

Structural Information

Molecular Formula
C7H3ClFNO3
SMILES
C1=CC(=C(C=C1C(=O)Cl)[N+](=O)[O-])F
InChI
InChI=1S/C7H3ClFNO3/c8-7(11)4-1-2-5(9)6(3-4)10(12)13/h1-3H
InChIKey
OJNVFOHHRJZBEG-UHFFFAOYSA-N
Compound name
4-fluoro-3-nitrobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

294
Patents

202.97855 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.98583 133.6
[M+Na]+ 225.96777 143.0
[M-H]- 201.97127 136.4
[M+NH4]+ 221.01237 152.8
[M+K]+ 241.94171 136.1
[M+H-H2O]+ 185.97581 133.2
[M+HCOO]- 247.97675 153.9
[M+CH3COO]- 261.99240 177.2
[M+Na-2H]- 223.95322 140.0
[M]+ 202.97800 133.5
[M]- 202.97910 133.5
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