CID 12634874

(4-chlorophenyl)(4-fluorophenyl)methanol

Structural Information

Molecular Formula
C13H10ClFO
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)O)F
InChI
InChI=1S/C13H10ClFO/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H
InChIKey
JCIWCQYNVZQYRV-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(4-fluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

236.04042 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.04770 146.9
[M+Na]+ 259.02964 156.0
[M-H]- 235.03314 151.2
[M+NH4]+ 254.07424 164.9
[M+K]+ 275.00358 150.2
[M+H-H2O]+ 219.03768 140.3
[M+HCOO]- 281.03862 163.8
[M+CH3COO]- 295.05427 188.0
[M+Na-2H]- 257.01509 151.4
[M]+ 236.03987 146.6
[M]- 236.04097 146.6
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