CID 60051032

4-chloro-2-(difluoromethoxy)phenol

Structural Information

Molecular Formula
C7H5ClF2O2
SMILES
C1=CC(=C(C=C1Cl)OC(F)F)O
InChI
InChI=1S/C7H5ClF2O2/c8-4-1-2-5(11)6(3-4)12-7(9)10/h1-3,7,11H
InChIKey
XXXULNQDTMIWJP-UHFFFAOYSA-N
Compound name
4-chloro-2-(difluoromethoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

193.99461 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.00189 130.2
[M+Na]+ 216.98383 140.5
[M-H]- 192.98733 130.5
[M+NH4]+ 212.02843 150.2
[M+K]+ 232.95777 136.8
[M+H-H2O]+ 176.99187 124.5
[M+HCOO]- 238.99281 146.8
[M+CH3COO]- 253.00846 179.1
[M+Na-2H]- 214.96928 135.0
[M]+ 193.99406 130.3
[M]- 193.99516 130.3
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