CID 165949221

[3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-yl]methanol

Structural Information

Molecular Formula
C8H12F2O
SMILES
CC(C12CC(C1)(C2)CO)(F)F
InChI
InChI=1S/C8H12F2O/c1-6(9,10)8-2-7(3-8,4-8)5-11/h11H,2-5H2,1H3
InChIKey
ZBURMHZCRJSRTP-UHFFFAOYSA-N
Compound name
[3-(1,1-difluoroethyl)-1-bicyclo[1.1.1]pentanyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.08562 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09290 155.7
[M+Na]+ 185.07484 160.6
[M-H]- 161.07834 156.5
[M+NH4]+ 180.11944 162.2
[M+K]+ 201.04878 165.0
[M+H-H2O]+ 145.08288 143.3
[M+HCOO]- 207.08382 165.5
[M+CH3COO]- 221.09947 205.6
[M+Na-2H]- 183.06029 162.1
[M]+ 162.08507 178.0
[M]- 162.08617 178.0
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

No patent data available for this compound.