CID 20785608

Cyclopropyl(4-fluoro-3-methylphenyl)methanol

Structural Information

Molecular Formula
C11H13FO
SMILES
CC1=C(C=CC(=C1)C(C2CC2)O)F
InChI
InChI=1S/C11H13FO/c1-7-6-9(4-5-10(7)12)11(13)8-2-3-8/h4-6,8,11,13H,2-3H2,1H3
InChIKey
YBUARYQDBOZGOK-UHFFFAOYSA-N
Compound name
cyclopropyl-(4-fluoro-3-methylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

180.09505 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.10233 132.2
[M+Na]+ 203.08427 141.8
[M-H]- 179.08777 137.6
[M+NH4]+ 198.12887 147.1
[M+K]+ 219.05821 138.2
[M+H-H2O]+ 163.09231 125.3
[M+HCOO]- 225.09325 153.5
[M+CH3COO]- 239.10890 184.4
[M+Na-2H]- 201.06972 136.7
[M]+ 180.09450 132.7
[M]- 180.09560 132.7
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