CID 6624

Chlorfenethol

Structural Information

Molecular Formula
C14H12Cl2O
SMILES
CC(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C14H12Cl2O/c1-14(17,10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11/h2-9,17H,1H3
InChIKey
URYAFVKLYSEINW-UHFFFAOYSA-N
Compound name
1,1-bis(4-chlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

15
References

45121
Patents

266.02652 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.03380 155.6
[M+Na]+ 289.01574 165.3
[M-H]- 265.01924 160.7
[M+NH4]+ 284.06034 173.1
[M+K]+ 304.98968 158.4
[M+H-H2O]+ 249.02378 150.7
[M+HCOO]- 311.02472 167.5
[M+CH3COO]- 325.04037 192.5
[M+Na-2H]- 287.00119 161.2
[M]+ 266.02597 158.0
[M]- 266.02707 158.0
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