CID 14915114

4-(3,4-difluorophenyl)butanoic acid

Structural Information

Molecular Formula
C10H10F2O2
SMILES
C1=CC(=C(C=C1CCCC(=O)O)F)F
InChI
InChI=1S/C10H10F2O2/c11-8-5-4-7(6-9(8)12)2-1-3-10(13)14/h4-6H,1-3H2,(H,13,14)
InChIKey
WJFMKSWYCLPPFV-UHFFFAOYSA-N
Compound name
4-(3,4-difluorophenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

200.06488 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.07216 138.7
[M+Na]+ 223.05410 147.2
[M-H]- 199.05760 138.6
[M+NH4]+ 218.09870 157.5
[M+K]+ 239.02804 144.2
[M+H-H2O]+ 183.06214 131.5
[M+HCOO]- 245.06308 158.9
[M+CH3COO]- 259.07873 183.4
[M+Na-2H]- 221.03955 142.1
[M]+ 200.06433 137.1
[M]- 200.06543 137.1
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