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

17
Patents

194.07431 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.081586 135.1
[M+Na]+ 217.063528 143.8
[M-H]- 193.067034 140.3
[M+NH4]+ 212.108133 149.0
[M+K]+ 233.037468 140.5
[M+H-H2O]+ 177.071570 128.1
[M+HCOO]- 239.072511 155.9
[M+CH3COO]- 253.088161 185.2
[M+Na-2H]- 215.048976 139.1
[M]+ 194.07376142 135.4
[M]- 194.07485858 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