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

2
Patents

140.00851 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.01579 116.5
[M+Na]+ 162.99773 128.2
[M-H]- 139.00123 117.3
[M+NH4]+ 158.04233 136.4
[M+K]+ 178.97167 127.4
[M+H-H2O]+ 123.00577 111.6
[M+HCOO]- 185.00671 135.6
[M+CH3COO]- 199.02236 173.4
[M+Na-2H]- 160.98318 123.7
[M]+ 140.00796 115.8
[M]- 140.00906 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