CID 64492233

1-cyclopropyl-3,3,3-trifluoropropan-1-one

Structural Information

Molecular Formula
C6H7F3O
SMILES
C1CC1C(=O)CC(F)(F)F
InChI
InChI=1S/C6H7F3O/c7-6(8,9)3-5(10)4-1-2-4/h4H,1-3H2
InChIKey
BFZARKPIFOUSRN-UHFFFAOYSA-N
Compound name
1-cyclopropyl-3,3,3-trifluoropropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.0449 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05218 122.3
[M+Na]+ 175.03412 131.8
[M-H]- 151.03762 123.3
[M+NH4]+ 170.07872 138.5
[M+K]+ 191.00806 129.8
[M+H-H2O]+ 135.04216 114.5
[M+HCOO]- 197.04310 141.4
[M+CH3COO]- 211.05875 179.0
[M+Na-2H]- 173.01957 128.0
[M]+ 152.04435 120.8
[M]- 152.04545 120.8
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

No patent data available for this compound.