CID 2736520

3-chloro-4-fluorobenzamide

Structural Information

Molecular Formula
C7H5ClFNO
SMILES
C1=CC(=C(C=C1C(=O)N)Cl)F
InChI
InChI=1S/C7H5ClFNO/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11)
InChIKey
AEYMQEMBMKCNEG-UHFFFAOYSA-N
Compound name
3-chloro-4-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

251
Patents

173.00436 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.01164 129.0
[M+Na]+ 195.99358 141.5
[M+NH4]+ 191.03818 137.3
[M+K]+ 211.96752 135.5
[M-H]- 171.99708 130.1
[M+Na-2H]- 193.97903 135.5
[M]+ 173.00381 131.2
[M]- 173.00491 131.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe