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
trans-(1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

154.02417 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.031446 119.9
[M+Na]+ 177.013388 130.3
[M-H]- 153.016894 120.1
[M+NH4]+ 172.057993 135.6
[M+K]+ 192.987328 127.8
[M+H-H2O]+ 137.021430 112.8
[M+HCOO]- 199.022371 138.0
[M+CH3COO]- 213.038021 176.5
[M+Na-2H]- 174.998836 125.1
[M]+ 154.02362142 118.0
[M]- 154.02471858 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