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]+ 222.01279 138.9
[M+Na]+ 243.99473 148.3
[M-H]- 219.99823 139.9
[M+NH4]+ 239.03933 157.7
[M+K]+ 259.96867 144.8
[M+H-H2O]+ 204.00277 132.4
[M+HCOO]- 266.00371 156.3
[M+CH3COO]- 280.01936 189.0
[M+Na-2H]- 241.98018 141.5
[M]+ 221.00496 138.2
[M]- 221.00606 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.