CID 105451349

(3,3-difluoro-1-phenylcyclobutyl)methanol

Structural Information

Molecular Formula
C11H12F2O
SMILES
C1C(CC1(F)F)(CO)C2=CC=CC=C2
InChI
InChI=1S/C11H12F2O/c12-11(13)6-10(7-11,8-14)9-4-2-1-3-5-9/h1-5,14H,6-8H2
InChIKey
PMFWPUQPLMBQGG-UHFFFAOYSA-N
Compound name
(3,3-difluoro-1-phenylcyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

198.08562 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09290 141.0
[M+Na]+ 221.07484 148.8
[M-H]- 197.07834 144.5
[M+NH4]+ 216.11944 157.2
[M+K]+ 237.04878 148.2
[M+H-H2O]+ 181.08288 130.4
[M+HCOO]- 243.08382 160.0
[M+CH3COO]- 257.09947 184.2
[M+Na-2H]- 219.06029 147.4
[M]+ 198.08507 145.9
[M]- 198.08617 145.9
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