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

0
Patents

207.06955 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07683 145.9
[M+Na]+ 230.05877 156.0
[M-H]- 206.06227 147.3
[M+NH4]+ 225.10337 162.5
[M+K]+ 246.03271 153.1
[M+H-H2O]+ 190.06681 133.6
[M+HCOO]- 252.06775 162.2
[M+CH3COO]- 266.08340 197.1
[M+Na-2H]- 228.04422 149.5
[M]+ 207.06900 140.1
[M]- 207.07010 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

No patent data available for this compound.