CID 59649469

1935220-46-4

Structural Information

Molecular Formula
C6H7F3O
SMILES
CC(=O)C1(CC1)C(F)(F)F
InChI
InChI=1S/C6H7F3O/c1-4(10)5(2-3-5)6(7,8)9/h2-3H2,1H3
InChIKey
RNHLQUUJBNLQQV-UHFFFAOYSA-N
Compound name
1-[1-(trifluoromethyl)cyclopropyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

152.0449 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05218 122.7
[M+Na]+ 175.03412 132.9
[M-H]- 151.03762 124.1
[M+NH4]+ 170.07872 140.9
[M+K]+ 191.00806 131.9
[M+H-H2O]+ 135.04216 116.3
[M+HCOO]- 197.04310 141.4
[M+CH3COO]- 211.05875 178.6
[M+Na-2H]- 173.01957 129.5
[M]+ 152.04435 121.6
[M]- 152.04545 121.6
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