CID 80122512

3-(3,4-difluorophenyl)cyclobutan-1-ol

Structural Information

Molecular Formula
C10H10F2O
SMILES
C1C(CC1O)C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C10H10F2O/c11-9-2-1-6(5-10(9)12)7-3-8(13)4-7/h1-2,5,7-8,13H,3-4H2
InChIKey
ITAQXTXNRDIQPD-UHFFFAOYSA-N
Compound name
3-(3,4-difluorophenyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.06998 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07726 132.8
[M+Na]+ 207.05920 140.8
[M-H]- 183.06270 136.2
[M+NH4]+ 202.10380 146.1
[M+K]+ 223.03314 140.5
[M+H-H2O]+ 167.06724 120.8
[M+HCOO]- 229.06818 152.0
[M+CH3COO]- 243.08383 184.1
[M+Na-2H]- 205.04465 136.6
[M]+ 184.06943 137.4
[M]- 184.07053 137.4
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

No patent data available for this compound.