CID 13379936

78376-99-5

Structural Information

Molecular Formula
C5H5F3O2
SMILES
C1[C@H]([C@@H]1C(F)(F)F)C(=O)O
InChI
InChI=1S/C5H5F3O2/c6-5(7,8)3-1-2(3)4(9)10/h2-3H,1H2,(H,9,10)/t2-,3-/m1/s1
InChIKey
GSNLYQDUCHEFFQ-PWNYCUMCSA-N
Compound name
(1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

154.02417 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03145 119.9
[M+Na]+ 177.01339 130.3
[M-H]- 153.01689 120.1
[M+NH4]+ 172.05799 135.6
[M+K]+ 192.98733 127.8
[M+H-H2O]+ 137.02143 112.8
[M+HCOO]- 199.02237 138.0
[M+CH3COO]- 213.03802 176.5
[M+Na-2H]- 174.99884 125.1
[M]+ 154.02362 118.0
[M]- 154.02472 118.0
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