CID 15487791

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

Structural Information

Molecular Formula
C10H11FO2
SMILES
CC(CC1=CC=C(C=C1)F)C(=O)O
InChI
InChI=1S/C10H11FO2/c1-7(10(12)13)6-8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3,(H,12,13)
InChIKey
KPWBMCKJLTZFFT-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

211
Patents

182.07431 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.081586 136.7
[M+Na]+ 205.063528 144.0
[M-H]- 181.067034 137.8
[M+NH4]+ 200.108133 156.0
[M+K]+ 221.037468 141.9
[M+H-H2O]+ 165.071570 130.5
[M+HCOO]- 227.072511 157.1
[M+CH3COO]- 241.088161 180.4
[M+Na-2H]- 203.048976 140.2
[M]+ 182.07376142 135.3
[M]- 182.07485858 135.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe