CID 119024309

2-chloro-6-(difluoromethoxy)benzamide

Structural Information

Molecular Formula
C8H6ClF2NO2
SMILES
C1=CC(=C(C(=C1)Cl)C(=O)N)OC(F)F
InChI
InChI=1S/C8H6ClF2NO2/c9-4-2-1-3-5(14-8(10)11)6(4)7(12)13/h1-3,8H,(H2,12,13)
InChIKey
PCYYFUJPHMTPHT-UHFFFAOYSA-N
Compound name
2-chloro-6-(difluoromethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.00551 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.012786 138.9
[M+Na]+ 243.994728 148.3
[M-H]- 219.998234 139.9
[M+NH4]+ 239.039333 157.7
[M+K]+ 259.968668 144.8
[M+H-H2O]+ 204.002770 132.4
[M+HCOO]- 266.003711 156.3
[M+CH3COO]- 280.019361 189.0
[M+Na-2H]- 241.980176 141.5
[M]+ 221.00496142 138.2
[M]- 221.00605858 138.2
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

No patent data available for this compound.