CID 43141878

[5-chloro-2-(difluoromethoxy)phenyl]methanol

Structural Information

Molecular Formula
C8H7ClF2O2
SMILES
C1=CC(=C(C=C1Cl)CO)OC(F)F
InChI
InChI=1S/C8H7ClF2O2/c9-6-1-2-7(13-8(10)11)5(3-6)4-12/h1-3,8,12H,4H2
InChIKey
WRCKBMKBPHCJSS-UHFFFAOYSA-N
Compound name
[5-chloro-2-(difluoromethoxy)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

208.01027 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.017546 135.0
[M+Na]+ 230.999488 144.9
[M-H]- 207.002994 135.1
[M+NH4]+ 226.044093 154.4
[M+K]+ 246.973428 140.9
[M+H-H2O]+ 191.007530 129.1
[M+HCOO]- 253.008471 151.3
[M+CH3COO]- 267.024121 182.1
[M+Na-2H]- 228.984936 139.2
[M]+ 208.00972142 135.5
[M]- 208.01081858 135.5
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