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]+ 209.01755 135.0
[M+Na]+ 230.99949 144.9
[M-H]- 207.00299 135.1
[M+NH4]+ 226.04409 154.4
[M+K]+ 246.97343 140.9
[M+H-H2O]+ 191.00753 129.1
[M+HCOO]- 253.00847 151.3
[M+CH3COO]- 267.02412 182.1
[M+Na-2H]- 228.98494 139.2
[M]+ 208.00972 135.5
[M]- 208.01082 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