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]+ 278.86992 149.2
[M+Na]+ 300.85186 160.2
[M-H]- 276.85536 147.2
[M+NH4]+ 295.89646 165.3
[M+K]+ 316.82580 154.5
[M+H-H2O]+ 260.85990 148.3
[M+HCOO]- 322.86084 146.6
[M+CH3COO]- 336.87649 197.6
[M+Na-2H]- 298.83731 149.0
[M]+ 277.86209 149.5
[M]- 277.86319 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.