CID 517842

3-chloro-2-fluorobenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

173.00436 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.01164 129.2
[M+Na]+ 195.99358 139.4
[M-H]- 171.99708 131.8
[M+NH4]+ 191.03818 150.2
[M+K]+ 211.96752 135.5
[M+H-H2O]+ 156.00162 124.1
[M+HCOO]- 218.00256 148.7
[M+CH3COO]- 232.01821 180.2
[M+Na-2H]- 193.97903 134.1
[M]+ 173.00381 128.4
[M]- 173.00491 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