CID 15248121

75702-97-5

Structural Information

Molecular Formula
C5H5F3O
SMILES
C1CC1C(=O)C(F)(F)F
InChI
InChI=1S/C5H5F3O/c6-5(7,8)4(9)3-1-2-3/h3H,1-2H2
InChIKey
LMJNTMDORMMGOX-UHFFFAOYSA-N
Compound name
1-cyclopropyl-2,2,2-trifluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

138.02925 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.03653 117.9
[M+Na]+ 161.01847 127.8
[M-H]- 137.02197 119.1
[M+NH4]+ 156.06307 134.6
[M+K]+ 176.99241 126.1
[M+H-H2O]+ 121.02651 110.3
[M+HCOO]- 183.02745 137.3
[M+CH3COO]- 197.04310 176.1
[M+Na-2H]- 159.00392 124.1
[M]+ 138.02870 116.0
[M]- 138.02980 116.0
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