CID 67153943

1035155-69-1

Structural Information

Molecular Formula
C7H6ClIO
SMILES
C1=CC(=C(C=C1I)CO)Cl
InChI
InChI=1S/C7H6ClIO/c8-7-2-1-6(9)3-5(7)4-10/h1-3,10H,4H2
InChIKey
ZKCHXDGUCIFRFK-UHFFFAOYSA-N
Compound name
(2-chloro-5-iodophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

267.9152 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.922476 135.9
[M+Na]+ 290.904418 138.9
[M-H]- 266.907924 131.7
[M+NH4]+ 285.949023 152.3
[M+K]+ 306.878358 140.8
[M+H-H2O]+ 250.912460 128.3
[M+HCOO]- 312.913401 150.1
[M+CH3COO]- 326.929051 182.6
[M+Na-2H]- 288.889866 130.4
[M]+ 267.91465142 134.8
[M]- 267.91574858 134.8
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

patents stripe