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

1
Patents

168.03981 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04709 124.6
[M+Na]+ 191.02903 135.3
[M-H]- 167.03253 124.9
[M+NH4]+ 186.07363 141.7
[M+K]+ 207.00297 133.5
[M+H-H2O]+ 151.03707 118.8
[M+HCOO]- 213.03801 142.0
[M+CH3COO]- 227.05366 179.0
[M+Na-2H]- 189.01448 130.5
[M]+ 168.03926 123.6
[M]- 168.04036 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