CID 17832832

2-(4-cyano-3-fluorophenyl)-2-methylpropanoic acid

Structural Information

Molecular Formula
C11H10FNO2
SMILES
CC(C)(C1=CC(=C(C=C1)C#N)F)C(=O)O
InChI
InChI=1S/C11H10FNO2/c1-11(2,10(14)15)8-4-3-7(6-13)9(12)5-8/h3-5H,1-2H3,(H,14,15)
InChIKey
ZJBCZIZIGPKQFK-UHFFFAOYSA-N
Compound name
2-(4-cyano-3-fluorophenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

207.06955 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.076826 145.9
[M+Na]+ 230.058768 156.0
[M-H]- 206.062274 147.3
[M+NH4]+ 225.103373 162.5
[M+K]+ 246.032708 153.1
[M+H-H2O]+ 190.066810 133.6
[M+HCOO]- 252.067751 162.2
[M+CH3COO]- 266.083401 197.1
[M+Na-2H]- 228.044216 149.5
[M]+ 207.06900142 140.1
[M]- 207.07009858 140.1
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