CID 2782507

2,6-dichloro-3,5-difluorophenol

Structural Information

Molecular Formula
C6H2Cl2F2O
SMILES
C1=C(C(=C(C(=C1F)Cl)O)Cl)F
InChI
InChI=1S/C6H2Cl2F2O/c7-4-2(9)1-3(10)5(8)6(4)11/h1,11H
InChIKey
RBVUEUWRQAOTDL-UHFFFAOYSA-N
Compound name
2,6-dichloro-3,5-difluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

197.94508 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.95236 126.4
[M+Na]+ 220.93430 139.6
[M-H]- 196.93780 126.8
[M+NH4]+ 215.97890 147.3
[M+K]+ 236.90824 133.8
[M+H-H2O]+ 180.94234 122.4
[M+HCOO]- 242.94328 139.0
[M+CH3COO]- 256.95893 180.4
[M+Na-2H]- 218.91975 130.9
[M]+ 197.94453 127.1
[M]- 197.94563 127.1
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