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

2106
Patents

154.02417 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03145 121.5
[M+Na]+ 177.01339 131.7
[M-H]- 153.01689 121.6
[M+NH4]+ 172.05799 138.8
[M+K]+ 192.98733 130.2
[M+H-H2O]+ 137.02143 115.5
[M+HCOO]- 199.02237 139.2
[M+CH3COO]- 213.03802 175.0
[M+Na-2H]- 174.99884 128.4
[M]+ 154.02362 119.7
[M]- 154.02472 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