CID 16640510

2-amino-4,5-difluorobenzamide

Structural Information

Molecular Formula
C7H6F2N2O
SMILES
C1=C(C(=CC(=C1F)F)N)C(=O)N
InChI
InChI=1S/C7H6F2N2O/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,10H2,(H2,11,12)
InChIKey
JFMDZCSBKULXCB-UHFFFAOYSA-N
Compound name
2-amino-4,5-difluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

172.04482 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.05210 130.7
[M+Na]+ 195.03404 140.2
[M-H]- 171.03754 131.8
[M+NH4]+ 190.07864 150.4
[M+K]+ 211.00798 137.5
[M+H-H2O]+ 155.04208 123.4
[M+HCOO]- 217.04302 153.9
[M+CH3COO]- 231.05867 184.8
[M+Na-2H]- 193.01949 133.7
[M]+ 172.04427 125.2
[M]- 172.04537 125.2
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