CID 130716550

1,2,2-trifluorocyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C4H3F3O2
SMILES
C1C(C1(F)F)(C(=O)O)F
InChI
InChI=1S/C4H3F3O2/c5-3(2(8)9)1-4(3,6)7/h1H2,(H,8,9)
InChIKey
OFXYCNXOOVLVSE-UHFFFAOYSA-N
Compound name
1,2,2-trifluorocyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

140.00851 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.015786 116.5
[M+Na]+ 162.997728 128.2
[M-H]- 139.001234 117.3
[M+NH4]+ 158.042333 136.4
[M+K]+ 178.971668 127.4
[M+H-H2O]+ 123.005770 111.6
[M+HCOO]- 185.006711 135.6
[M+CH3COO]- 199.022361 173.4
[M+Na-2H]- 160.983176 123.7
[M]+ 140.00796142 115.8
[M]- 140.00905858 115.8
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