CID 2778306

277756-46-4

Structural Information

Molecular Formula
C5H5F3O2
SMILES
C1CC1(C(=O)O)C(F)(F)F
InChI
InChI=1S/C5H5F3O2/c6-5(7,8)4(1-2-4)3(9)10/h1-2H2,(H,9,10)
InChIKey
SKCBKBCACWDALV-UHFFFAOYSA-N
Compound name
1-(trifluoromethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2005
Patents

154.02417 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.031446 121.5
[M+Na]+ 177.013388 131.7
[M-H]- 153.016894 121.6
[M+NH4]+ 172.057993 138.8
[M+K]+ 192.987328 130.2
[M+H-H2O]+ 137.021430 115.5
[M+HCOO]- 199.022371 139.2
[M+CH3COO]- 213.038021 175.0
[M+Na-2H]- 174.998836 128.4
[M]+ 154.02362142 119.7
[M]- 154.02471858 119.7
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