CID 97889376

(3,5-dichloro-4-fluorophenyl)methanol

Structural Information

Molecular Formula
C7H5Cl2FO
SMILES
C1=C(C=C(C(=C1Cl)F)Cl)CO
InChI
InChI=1S/C7H5Cl2FO/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2,11H,3H2
InChIKey
DMYVCPAOMVYJCG-UHFFFAOYSA-N
Compound name
(3,5-dichloro-4-fluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

193.97015 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.97743 129.9
[M+Na]+ 216.95937 141.7
[M-H]- 192.96287 131.2
[M+NH4]+ 212.00397 150.8
[M+K]+ 232.93331 136.1
[M+H-H2O]+ 176.96741 126.4
[M+HCOO]- 238.96835 143.2
[M+CH3COO]- 252.98400 179.5
[M+Na-2H]- 214.94482 135.1
[M]+ 193.96960 131.7
[M]- 193.97070 131.7
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