CID 10535366

175275-74-8

Structural Information

Molecular Formula
C10H9FO2
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H9FO2/c11-7-3-1-6(2-4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H,12,13)/t8-,9+/m0/s1
InChIKey
QJJWMUZHTDQZDW-DTWKUNHWSA-N
Compound name
(1R,2R)-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

180.05865 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06593 130.9
[M+Na]+ 203.04787 141.2
[M-H]- 179.05137 136.6
[M+NH4]+ 198.09247 145.7
[M+K]+ 219.02181 137.6
[M+H-H2O]+ 163.05591 124.1
[M+HCOO]- 225.05685 152.9
[M+CH3COO]- 239.07250 182.6
[M+Na-2H]- 201.03332 135.8
[M]+ 180.05810 131.8
[M]- 180.05920 131.8
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