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

24021
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

literature stripe

Patent stripe

patents stripe