CID 45082999

585532-19-0

Structural Information

Molecular Formula
C6H7F3O
SMILES
C1C2(CC1(C2)O)C(F)(F)F
InChI
InChI=1S/C6H7F3O/c7-6(8,9)4-1-5(10,2-4)3-4/h10H,1-3H2
InChIKey
BVZRNAJOJZWRKG-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 150.8
[M+Na]+ 175.03412 156.4
[M-H]- 151.03762 150.9
[M+NH4]+ 170.07872 157.7
[M+K]+ 191.00806 160.9
[M+H-H2O]+ 135.04216 138.0
[M+HCOO]- 197.04310 160.4
[M+CH3COO]- 211.05875 202.7
[M+Na-2H]- 173.01957 157.6
[M]+ 152.04435 171.6
[M]- 152.04545 171.6
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