CID 129917223

3-chloro-5-(difluoromethyl)phenol

Structural Information

Molecular Formula
C7H5ClF2O
SMILES
C1=C(C=C(C=C1O)Cl)C(F)F
InChI
InChI=1S/C7H5ClF2O/c8-5-1-4(7(9)10)2-6(11)3-5/h1-3,7,11H
InChIKey
IQUYWTWUOCNOEA-UHFFFAOYSA-N
Compound name
3-chloro-5-(difluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

177.9997 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00698 127.2
[M+Na]+ 200.98892 137.6
[M-H]- 176.99242 127.6
[M+NH4]+ 196.03352 148.0
[M+K]+ 216.96286 133.4
[M+H-H2O]+ 160.99696 121.8
[M+HCOO]- 222.99790 143.6
[M+CH3COO]- 237.01355 177.1
[M+Na-2H]- 198.97437 132.0
[M]+ 177.99915 125.9
[M]- 178.00025 125.9
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