CID 67930

427-53-2

Structural Information

Molecular Formula
C16H14F2O
SMILES
C1CC1C(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)O
InChI
InChI=1S/C16H14F2O/c17-14-7-3-12(4-8-14)16(19,11-1-2-11)13-5-9-15(18)10-6-13/h3-11,19H,1-2H2
InChIKey
YAKFETHTYBAIJR-UHFFFAOYSA-N
Compound name
cyclopropyl-bis(4-fluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

260.10126 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.108536 148.7
[M+Na]+ 283.090478 158.0
[M-H]- 259.093984 155.4
[M+NH4]+ 278.135083 160.1
[M+K]+ 299.064418 152.8
[M+H-H2O]+ 243.098520 139.9
[M+HCOO]- 305.099461 168.3
[M+CH3COO]- 319.115111 196.8
[M+Na-2H]- 281.075926 154.3
[M]+ 260.10071142 147.4
[M]- 260.10180858 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe