CID 3063336

4-chloro-4,4-difluoro-3-hydroxy-3-(trifluoromethyl)butyraldehyde phenylhydrazone

Structural Information

Molecular Formula
C11H10ClF5N2O
SMILES
C1=CC=C(C=C1)N/N=C/CC(C(F)(F)F)(C(F)(F)Cl)O
InChI
InChI=1S/C11H10ClF5N2O/c12-10(13,14)9(20,11(15,16)17)6-7-18-19-8-4-2-1-3-5-8/h1-5,7,19-20H,6H2/b18-7+
InChIKey
JPGHYNIQCZBPBZ-CNHKJKLMSA-N
Compound name
(4E)-1-chloro-1,1-difluoro-4-(phenylhydrazinylidene)-2-(trifluoromethyl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0402 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.04748 161.7
[M+Na]+ 339.02942 169.2
[M-H]- 315.03292 158.7
[M+NH4]+ 334.07402 176.2
[M+K]+ 355.00336 163.8
[M+H-H2O]+ 299.03746 152.3
[M+HCOO]- 361.03840 173.5
[M+CH3COO]- 375.05405 205.9
[M+Na-2H]- 337.01487 168.5
[M]+ 316.03965 155.8
[M]- 316.04075 155.8
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.