CID 45083751

371917-31-6

Structural Information

Molecular Formula
C6H7F3O
SMILES
C1CC(C1)(C=O)C(F)(F)F
InChI
InChI=1S/C6H7F3O/c7-6(8,9)5(4-10)2-1-3-5/h4H,1-3H2
InChIKey
WHFVDLFITXHHHR-UHFFFAOYSA-N
Compound name
1-(trifluoromethyl)cyclobutane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

152.0449 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05218 126.4
[M+Na]+ 175.03412 133.9
[M-H]- 151.03762 126.7
[M+NH4]+ 170.07872 143.1
[M+K]+ 191.00806 135.6
[M+H-H2O]+ 135.04216 116.2
[M+HCOO]- 197.04310 144.4
[M+CH3COO]- 211.05875 177.4
[M+Na-2H]- 173.01957 133.2
[M]+ 152.04435 130.4
[M]- 152.04545 130.4
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