CID 10419861

81170-13-0

Structural Information

Molecular Formula
C9H9FO3
SMILES
CC(C1=CC=C(C=C1)F)(C(=O)O)O
InChI
InChI=1S/C9H9FO3/c1-9(13,8(11)12)6-2-4-7(10)5-3-6/h2-5,13H,1H3,(H,11,12)
InChIKey
ZZCVUIWOTANGSM-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

184.05357 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.06085 135.3
[M+Na]+ 207.04279 143.2
[M-H]- 183.04629 135.4
[M+NH4]+ 202.08739 153.8
[M+K]+ 223.01673 140.9
[M+H-H2O]+ 167.05083 129.8
[M+HCOO]- 229.05177 154.1
[M+CH3COO]- 243.06742 176.3
[M+Na-2H]- 205.02824 140.8
[M]+ 184.05302 133.2
[M]- 184.05412 133.2
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