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

109
Patents

173.00436 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.011636 129.2
[M+Na]+ 195.993578 139.4
[M-H]- 171.997084 131.8
[M+NH4]+ 191.038183 150.2
[M+K]+ 211.967518 135.5
[M+H-H2O]+ 156.001620 124.1
[M+HCOO]- 218.002561 148.7
[M+CH3COO]- 232.018211 180.2
[M+Na-2H]- 193.979026 134.1
[M]+ 173.00381142 128.4
[M]- 173.00490858 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