CID 130707953

1-methyl-2-(trifluoromethyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C6H7F3O2
SMILES
CC1(CC1C(F)(F)F)C(=O)O
InChI
InChI=1S/C6H7F3O2/c1-5(4(10)11)2-3(5)6(7,8)9/h3H,2H2,1H3,(H,10,11)
InChIKey
MVNRGPSCFHXBBA-UHFFFAOYSA-N
Compound name
1-methyl-2-(trifluoromethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

168.03981 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.047086 124.6
[M+Na]+ 191.029028 135.3
[M-H]- 167.032534 124.9
[M+NH4]+ 186.073633 141.7
[M+K]+ 207.002968 133.5
[M+H-H2O]+ 151.037070 118.8
[M+HCOO]- 213.038011 142.0
[M+CH3COO]- 227.053661 179.0
[M+Na-2H]- 189.014476 130.5
[M]+ 168.03926142 123.6
[M]- 168.04035858 123.6
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