CID 22345343

4-cyano-2-fluorobenzoyl chloride

Structural Information

Molecular Formula
C8H3ClFNO
SMILES
C1=CC(=C(C=C1C#N)F)C(=O)Cl
InChI
InChI=1S/C8H3ClFNO/c9-8(12)6-2-1-5(4-11)3-7(6)10/h1-3H
InChIKey
WUFOPFHPVDSXHL-UHFFFAOYSA-N
Compound name
4-cyano-2-fluorobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

182.98872 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.99600 131.8
[M+Na]+ 205.97794 144.4
[M-H]- 181.98144 134.5
[M+NH4]+ 201.02254 150.9
[M+K]+ 221.95188 139.6
[M+H-H2O]+ 165.98598 120.4
[M+HCOO]- 227.98692 147.7
[M+CH3COO]- 242.00257 192.6
[M+Na-2H]- 203.96339 136.8
[M]+ 182.98817 128.0
[M]- 182.98927 128.0
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