CID 27641

Blastin

Structural Information

Molecular Formula
C7H3Cl5O
SMILES
C(C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O
InChI
InChI=1S/C7H3Cl5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
InChIKey
RVCKCEDKBVEEHL-UHFFFAOYSA-N
Compound name
(2,3,4,5,6-pentachlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28109
Patents

277.86264 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.869916 149.2
[M+Na]+ 300.851858 160.2
[M-H]- 276.855364 147.2
[M+NH4]+ 295.896463 165.3
[M+K]+ 316.825798 154.5
[M+H-H2O]+ 260.859900 148.3
[M+HCOO]- 322.860841 146.6
[M+CH3COO]- 336.876491 197.6
[M+Na-2H]- 298.837306 149.0
[M]+ 277.86209142 149.5
[M]- 277.86318858 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe