CID 10420314

2,2-difluoro-4-phenylbutanoic acid

Structural Information

Molecular Formula
C10H10F2O2
SMILES
C1=CC=C(C=C1)CCC(C(=O)O)(F)F
InChI
InChI=1S/C10H10F2O2/c11-10(12,9(13)14)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14)
InChIKey
RNXIVWTWKFJRGM-UHFFFAOYSA-N
Compound name
2,2-difluoro-4-phenylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

200.06488 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.07216 139.8
[M+Na]+ 223.05410 146.9
[M-H]- 199.05760 139.3
[M+NH4]+ 218.09870 158.0
[M+K]+ 239.02804 144.2
[M+H-H2O]+ 183.06214 132.8
[M+HCOO]- 245.06308 158.5
[M+CH3COO]- 259.07873 181.4
[M+Na-2H]- 221.03955 145.2
[M]+ 200.06433 136.9
[M]- 200.06543 136.9
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