CID 87439

2,6-difluorobenzamide

Structural Information

Molecular Formula
C7H5F2NO
SMILES
C1=CC(=C(C(=C1)F)C(=O)N)F
InChI
InChI=1S/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
InChIKey
AVRQBXVUUXHRMY-UHFFFAOYSA-N
Compound name
2,6-difluorobenzamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

19
References

1153
Patents

157.03392 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04120 126.0
[M+Na]+ 180.02314 135.4
[M-H]- 156.02664 127.3
[M+NH4]+ 175.06774 146.6
[M+K]+ 195.99708 133.0
[M+H-H2O]+ 140.03118 118.9
[M+HCOO]- 202.03212 148.9
[M+CH3COO]- 216.04777 179.1
[M+Na-2H]- 178.00859 130.7
[M]+ 157.03337 121.9
[M]- 157.03447 121.9
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