CID 58380988

1202008-97-6

Structural Information

Molecular Formula
C11H10FNO
SMILES
C1C(CC1(C#N)C2=CC=C(C=C2)F)O
InChI
InChI=1S/C11H10FNO/c12-9-3-1-8(2-4-9)11(7-13)5-10(14)6-11/h1-4,10,14H,5-6H2
InChIKey
ULIJSKFEYXIVAS-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-hydroxycyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

191.07465 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.081926 136.2
[M+Na]+ 214.063868 145.8
[M-H]- 190.067374 140.3
[M+NH4]+ 209.108473 149.5
[M+K]+ 230.037808 145.0
[M+H-H2O]+ 174.071910 120.0
[M+HCOO]- 236.072851 153.2
[M+CH3COO]- 250.088501 195.8
[M+Na-2H]- 212.049316 141.6
[M]+ 191.07410142 136.8
[M]- 191.07519858 136.8
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