CID 522831

2,5-difluorobenzamide

Structural Information

Molecular Formula
C7H5F2NO
SMILES
C1=CC(=C(C=C1F)C(=O)N)F
InChI
InChI=1S/C7H5F2NO/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H2,10,11)
InChIKey
BJKWHAILFUUIRT-UHFFFAOYSA-N
Compound name
2,5-difluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

303
Patents

157.03392 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.041196 126.0
[M+Na]+ 180.023138 135.4
[M-H]- 156.026644 127.3
[M+NH4]+ 175.067743 146.6
[M+K]+ 195.997078 133.0
[M+H-H2O]+ 140.031180 118.9
[M+HCOO]- 202.032121 148.9
[M+CH3COO]- 216.047771 179.1
[M+Na-2H]- 178.008586 130.7
[M]+ 157.03337142 121.9
[M]- 157.03446858 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