CID 11324880

4-chloro-3-(4-chloro-2-fluoro-5-hydroxyphenyl)-5-difluoromethoxy-1-methylpyrazole

Structural Information

Molecular Formula
C11H7Cl2F3N2O2
SMILES
CN1C(=C(C(=N1)C2=CC(=C(C=C2F)Cl)O)Cl)OC(F)F
InChI
InChI=1S/C11H7Cl2F3N2O2/c1-18-10(20-11(15)16)8(13)9(17-18)4-2-7(19)5(12)3-6(4)14/h2-3,11,19H,1H3
InChIKey
YKQLJAVWTKOPEC-UHFFFAOYSA-N
Compound name
2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

25
Patents

325.98367 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.99095 158.8
[M+Na]+ 348.97289 172.2
[M-H]- 324.97639 158.6
[M+NH4]+ 344.01749 173.6
[M+K]+ 364.94683 165.5
[M+H-H2O]+ 308.98093 150.2
[M+HCOO]- 370.98187 167.3
[M+CH3COO]- 384.99752 203.9
[M+Na-2H]- 346.95834 157.4
[M]+ 325.98312 161.3
[M]- 325.98422 161.3
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

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