CID 63154715

1368374-60-0

Structural Information

Molecular Formula
C10H7Cl2F3O2
SMILES
C1=C(C=C(C=C1Cl)Cl)C(CC(=O)O)C(F)(F)F
InChI
InChI=1S/C10H7Cl2F3O2/c11-6-1-5(2-7(12)3-6)8(4-9(16)17)10(13,14)15/h1-3,8H,4H2,(H,16,17)
InChIKey
ZWBUCKLLAYEGQM-UHFFFAOYSA-N
Compound name
3-(3,5-dichlorophenyl)-4,4,4-trifluorobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

285.9775 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.98478 148.7
[M+Na]+ 308.96672 158.6
[M-H]- 284.97022 147.1
[M+NH4]+ 304.01132 165.4
[M+K]+ 324.94066 152.7
[M+H-H2O]+ 268.97476 143.0
[M+HCOO]- 330.97570 156.1
[M+CH3COO]- 344.99135 195.1
[M+Na-2H]- 306.95217 150.4
[M]+ 285.97695 148.2
[M]- 285.97805 148.2
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

patents stripe