CID 3037

Dichlorophen

Structural Information

Molecular Formula
C13H10Cl2O2
SMILES
C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)O)O
InChI
InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2
InChIKey
MDNWOSOZYLHTCG-UHFFFAOYSA-N
Compound name
4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

151
References

47717
Patents

268.0058 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.01308 152.8
[M+Na]+ 290.99502 163.9
[M-H]- 266.99852 157.1
[M+NH4]+ 286.03962 170.0
[M+K]+ 306.96896 156.6
[M+H-H2O]+ 251.00306 148.4
[M+HCOO]- 313.00400 165.4
[M+CH3COO]- 327.01965 191.0
[M+Na-2H]- 288.98047 156.6
[M]+ 268.00525 155.8
[M]- 268.00635 155.8
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

No patent data available for this compound.