CID 66777253

1391052-76-8

Structural Information

Molecular Formula
C13H8Cl2F2N2O3
SMILES
C1=CC(=C(C=C1C(=O)NC2=C(C=NC=C2Cl)Cl)O)OC(F)F
InChI
InChI=1S/C13H8Cl2F2N2O3/c14-7-4-18-5-8(15)11(7)19-12(21)6-1-2-10(9(20)3-6)22-13(16)17/h1-5,13,20H,(H,18,19,21)
InChIKey
GZHTYXYJBZYTEV-UHFFFAOYSA-N
Compound name
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-3-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

347.988 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.99528 165.9
[M+Na]+ 370.97722 176.1
[M-H]- 346.98072 167.6
[M+NH4]+ 366.02182 178.4
[M+K]+ 386.95116 169.9
[M+H-H2O]+ 330.98526 157.9
[M+HCOO]- 392.98620 176.2
[M+CH3COO]- 407.00185 208.7
[M+Na-2H]- 368.96267 167.4
[M]+ 347.98745 168.2
[M]- 347.98855 168.2
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.