CID 12603986

2-cyclopropyl-2-(4-fluorophenyl)acetic acid

Structural Information

Molecular Formula
C11H11FO2
SMILES
C1CC1C(C2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C11H11FO2/c12-9-5-3-8(4-6-9)10(11(13)14)7-1-2-7/h3-7,10H,1-2H2,(H,13,14)
InChIKey
QTCCKBVMVULFQI-UHFFFAOYSA-N
Compound name
2-cyclopropyl-2-(4-fluorophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

194.07431 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08159 135.1
[M+Na]+ 217.06353 143.8
[M-H]- 193.06703 140.3
[M+NH4]+ 212.10813 149.0
[M+K]+ 233.03747 140.5
[M+H-H2O]+ 177.07157 128.1
[M+HCOO]- 239.07251 155.9
[M+CH3COO]- 253.08816 185.2
[M+Na-2H]- 215.04898 139.1
[M]+ 194.07376 135.4
[M]- 194.07486 135.4
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